SCHEMBL84653

SCHEMBL84653

COc1ccc(C(C)C)cc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
TUBB1 Q9H4B7 3/20 0.46
KDM1A O60341 2/20 0.43
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
FFAR1 O14842 1/20 0.40
CACNA1H O95180 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
CYP17A1 P05093 1/20 0.39
PDE2A O00408 1/20 0.39

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
SCHEMBL16798294 0.88 LMNA (0.47) LMNARAB9AMAPK1HTTTUBB1
SCHEMBL12974816 0.86 PDE2A (0.36) LMNARAB9AHDAC4HDAC8MAPK1
SCHEMBL21508366 0.85 CYP17A1 (0.53) LMNARAB9AMAPK1HTTALDH1A1
SCHEMBL9774382 0.84 LMNA (0.44) LMNARAB9AMAPK1HTTTUBB1
SCHEMBL1239665 0.84 AKT1 (0.45) LMNARAB9AMAPK1HTTTUBB1
SCHEMBL17939984 0.84 AKT1 (0.45) LMNARAB9AMAPK1HTTTUBB1
SCHEMBL3881774 0.84 LMNA (0.49) LMNARAB9AMAPK1HTTTUBB1
SCHEMBL19121579 0.84 LMNA (0.44) LMNARAB9AMAPK1HTTTUBB1
SCHEMBL29573914 0.84 AKT1 (0.45) LMNARAB9AMAPK1HTTTUBB1
SCHEMBL10361055 0.84 AKT1 (0.45) LMNARAB9AMAPK1HTTTUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107365324-B A kind of synthetic method of (the fluoro- 5- isopropyl -2- anisyl of 4-) boric acid 西安瑞联新材料股份有限公司 2019-05-10 CN claimed
CN-106083536-B A kind of preparation method of Ansai Qu key intermediate 浙江永太科技股份有限公司 2018-10-30 CN claimed
CN-107365324-A It is a kind of(The anisyl of 4 fluorine, 5 isopropyl 2)The novel synthesis of boric acid 西安瑞联新材料股份有限公司 2017-11-21 CN claimed
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION 2024-07-18 US disclosed
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION 2024-07-18 US disclosed
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 US disclosed
EP-3863638-B1 PHOSPHODIESTERASE INHIBITORS UNIV NEBRASKA (US) 2024-06-26 EP disclosed
WO-2024057020-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2024-03-21 WO disclosed
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2024-02-29 US disclosed
US-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
WO-2007048779-A1 PIPERIDIN-4-YL-PYRIDAZIN-3-YLAMINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 WO disclosed
US-20070043051-A1 Methods and compositions of novel triazine compounds TIMMER RICHARD T 2007-02-22 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 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 (9 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-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS LMNA 2238/4885RAB9A 4709/4885HDAC4 1922/4885
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R LMNA 4639/4885RAB9A 2274/4885HDAC4 2366/4885
US-20070043051-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS LMNA 2238/4885RAB9A 4709/4885HDAC4 1922/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 LMNA 4411/4885RAB9A 2065/4885HDAC4 2230/4885
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE ACE2, ACE, TMPRSS2 LMNA 1927/4885RAB9A 2470/4885HDAC4 1540/4885
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 LMNA 3458/4885RAB9A 2117/4885HDAC4 591/4885
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF KDM1A, TET1, KDM3A LMNA 1527/4885RAB9A 4231/4885HDAC4 397/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA LMNA 320/4885RAB9A 1112/4885HDAC4 242/4885
US-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS LMNA 2238/4885RAB9A 4709/4885HDAC4 1922/4885

“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.