SCHEMBL74008

SCHEMBL74008

COc1ccc(CC(C)(C)C)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.63
CYP19A1 P11511 1/20 0.56
ATM Q13315 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 2/20 0.53
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
POLB P06746 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
AOC3 Q16853 1/20 0.49
LDHA P00338 1/20 0.49
SIGMAR1 Q99720 1/20 0.47
STAT3 P40763 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12775657 0.87 CALM1 (0.58) CA2CYP19A1ATMKDM4EALDH1A1
SCHEMBL12232284 0.87 CA2 (0.48) CA2CYP19A1ATMKDM4EALDH1A1
SCHEMBL12775648 0.87 CALM1 (0.50) CA2CYP19A1ATMKDM4EALDH1A1
SCHEMBL5114730 0.86 CA2 (0.61) CA2CYP19A1ATMKDM4EALDH1A1
SCHEMBL12446453 0.86 KDM4E (0.47) CA2CYP19A1ATMKDM4EALDH1A1
SCHEMBL5114907 0.84 CA2 (0.59) CA2CYP19A1ATMKDM4EALDH1A1
SCHEMBL9917303 0.84 CA2 (0.44) CA2CYP19A1ATMKDM4EALDH1A1
SCHEMBL11258047 0.84 CA2 (0.59) CA2CYP19A1ATMKDM4EALDH1A1
SCHEMBL9917308 0.84 CRHBP (0.47) CA2CYP19A1ATMKDM4EALDH1A1
SCHEMBL11220193 0.84 CA2 (0.59) CA2CYP19A1ATMKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 134 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117813550-A Photosensitive surface treating agent, laminate, transistor, pattern forming method, and method for manufacturing transistor 株式会社尼康 2024-04-02 CN disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 US disclosed
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 US disclosed
US-11684609-B2 Compounds and methods for treating an epileptic disorder THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-27 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-11584714-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-02-21 US disclosed
US-20230019094-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING SAME HOLOSMEDIC (KR) 2023-01-19 US disclosed
US-10927088-B2 Thymoquinone derivatives for treatment of cancer UNITED ARAB EMIRATES UNIVERSITY (AE) 2021-02-23 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-7384937-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-06-10 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20070123576-A1 Compounds inducing differentiation of myoblasts or muscle fibers into neuron cells, pharmaceutical composition including said compounds, a method for inducing neuron differentiation and a screening method for identifying additional compounds useful for inducing neuron differentiation INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2007-05-31 US disclosed
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. 2007-01-25 US disclosed
WO-2004043367-A2 FUSED HETEROCYCLIC COMPOUNDS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 CA2 1125/4885CYP19A1 1903/4885ATM 2866/4885
US-11584714-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CA2 2623/4885CYP19A1 4531/4885ATM 1956/4885
US-20230019094-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING SAME TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ABCC1 CA2 351/4885CYP19A1 2504/4885ATM 1011/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 CA2 2623/4885CYP19A1 4531/4885ATM 1956/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 CA2 1511/4885CYP19A1 2789/4885ATM 2210/4885
US-20080280899-A1 Inhibitors of Akt Activity AKT1, AKT2, AKT3 CA2 2592/4885CYP19A1 2558/4885ATM 363/4885
US-20070123576-A1 Compounds inducing differentiation of myoblasts or muscle fibers into neuron cells, pharmaceutical composition including said compounds, a method for inducing neuron differentiation and a screening method for identifying additional compounds useful for inducing neuron differentiation TNNC1, TNNI3, PYGM CA2 228/4885CYP19A1 3115/4885ATM 4600/4885
US-10927088-B2 Thymoquinone derivatives for treatment of cancer TYMS, TYMP, NQO1 CA2 4483/4885CYP19A1 444/4885ATM 1106/4885
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 CA2 2222/4885CYP19A1 306/4885ATM 4598/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR CA2 4547/4885CYP19A1 413/4885ATM 3564/4885
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS CD274, PDCD1, PDCD1LG2 CA2 4593/4885CYP19A1 1540/4885ATM 362/4885
US-11684609-B2 Compounds and methods for treating an epileptic disorder GABRE, SLC6A1, GABBR1 CA2 322/4885CYP19A1 630/4885ATM 4803/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.