SCHEMBL1787501

SCHEMBL1787501

COC(=O)c1cccc(C(C)(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.59
TSHR P16473 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
KIF11 P52732 1/20 0.52
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HIF1A Q16665 1/20 0.51
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
ALDH1A1 P00352 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
NPC1 O15118 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 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
SCHEMBL2892597 0.89 TSHR (0.53) ACHETSHRLOXL2CYP4F2CYP4A11
SCHEMBL548002 0.87 TSHR (0.52) ACHETSHRLOXL2CYP4F2CYP4A11
SCHEMBL12065517 0.86 LOXL2 (0.54) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL3933098 0.86 TAS1R3 (0.54) ACHETSHRLOXL2CYP4F2CYP4A11
SCHEMBL30386758 0.85 ACHE (0.59) ACHEHDAC8HDAC6NR1H4RXRA
SCHEMBL669361 0.85 ACHE (0.59) ACHEHDAC8HDAC6NR1H4RXRA
SCHEMBL2159023 0.84 LOXL2 (0.49) ACHETSHRLOXL2CYP4F2CYP4A11
SCHEMBL15032881 0.84 ACHE (0.54) ACHEKIF11HDAC8HDAC6HIF1A
SCHEMBL29966404 0.84 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL13008167 0.84 ACHE (0.57) ACHETSHRHDAC8HDAC6CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067641-A1 INHIBITORS OF TRIM33 AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-02-29 US disclosed
US-11834424-B2 Compounds useful as chaperone-mediated autophagy modulators ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2023-12-05 US disclosed
US-11834424-B2 Compounds useful as chaperone-mediated autophagy modulators ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2023-12-05 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-20070225283-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-27 US disclosed
US-20070225283-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-27 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-6512006-B1 Novel 3-position Nitrogen substituted 6,6- disubstituted-5, 6-dihydropyrones and related compounds possess antiviral properties WARNER-LAMBERT COMPANY 2003-01-28 US disclosed
US-6512006-B1 Novel 3-position Nitrogen substituted 6,6- disubstituted-5, 6-dihydropyrones and related compounds possess antiviral properties WARNER-LAMBERT COMPANY 2003-01-28 US disclosed
US-4910206-A Endotoxin induced lung injury SANDOZ PHARMACEUTICALS CORP. (US) 1990-03-20 US 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 (11 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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 ACHE 3644/4885TSHR 4671/4885LOXL2 3062/4885
US-11834424-B2 Compounds useful as chaperone-mediated autophagy modulators SQSTM1, HSPA5, ATG7 ACHE 4678/4885TSHR 4536/4885LOXL2 3396/4885
US-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 ACHE 2723/4885TSHR 3550/4885LOXL2 1304/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 ACHE 2837/4885TSHR 692/4885LOXL2 2152/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 ACHE 2639/4885TSHR 4684/4885LOXL2 4467/4885
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 ACHE 4761/4885TSHR 866/4885LOXL2 2414/4885
US-20070225283-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, NCEH1 ACHE 1048/4885TSHR 3335/4885LOXL2 1150/4885
US-20240067641-A1 INHIBITORS OF TRIM33 AND METHODS OF USE TRIM33, TRIM28, TRIM4 ACHE 3644/4885TSHR 4671/4885LOXL2 3062/4885
US-11701370-B2 Phosphonium ion channel blockers and methods for use TRPV1, TRPV5, TRPA1 ACHE 234/4885TSHR 4454/4885LOXL2 2868/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS ACHE 3695/4885TSHR 11/4885LOXL2 1752/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 ACHE 4793/4885TSHR 441/4885LOXL2 2973/4885

“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.