SCHEMBL13626136

SCHEMBL13626136

CCc1sccc1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
KEAP1 Q14145 1/20 0.32
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
FAAH O00519 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL13413950 0.83 TSHR (0.41) ALDH1A1KEAP1TSHR
SCHEMBL18946174 0.83 KEAP1 (0.34) ALDH1A1KEAP1
SCHEMBL5108673 0.80 GABRA1 (0.43) ALDH1A1KEAP1GABRA1GABRG2GABRB3
SCHEMBL12702042 0.80 FBP1 (0.32) KEAP1GABRA1GABRG2GABRB3GABRB2
SCHEMBL22426455 0.79 HCAR2 (0.32)
SCHEMBL11888072 0.75 KEAP1 (0.32) ALDH1A1KEAP1GABRA1GABRG2GABRB3
SCHEMBL23339938 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11082415 0.72 ESR1 (0.31)
SCHEMBL19674138 0.72 KEAP1 (0.34) KEAP1
SCHEMBL12263142 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365543-A1 MATRIX METALLOPROTEINASE (MMP) INHIBITORS AND METHODS OF USE THEREOF FORESEE PHARMACEUTICALS USA, INC. 2023-11-16 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC (US) 2023-10-26 US disclosed
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-11673884-B2 Matrix metalloproteinase (MMP) inhibitors and methods of use thereof Foresee Pharmaceuticals Co., Inc. (TW) 2023-06-13 US disclosed
US-11643404-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-05-09 US disclosed
US-11643404-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-05-09 US disclosed
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-04 US disclosed
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-04 US disclosed
US-10842798-B1 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2020-11-24 US disclosed
US-20200290965-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2020-09-17 US disclosed
US-20200290953-A1 Charged Ion Channel Blockers and Methods for Use Nocion Therapeutics, Inc. 2020-09-17 US disclosed
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed
US-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE SHIONOGI & CO (JP) 2017-10-19 US disclosed
US-9656974-B2 Oxazine derivatives SHIONOGI & CO., LTD. (JP) 2017-05-23 US disclosed
US-9598447-B2 Phosphorus-substituted quinoxaline-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2017-03-21 US disclosed
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE BOSTON BIOMEDICAL, INC. (US) 2017-01-19 US disclosed
WO-2009137596-A1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
EP-1771450-B1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION BY INHIBITION OF AURORA KINASE MILLENNIUM PHARM INC (US) 2007-12-19 EP 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-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE P2RX3, P2RX7, P2RX2 ALDH1A1 2515/4885KEAP1 1486/4885GABRA1 245/4885
US-20200290953-A1 Charged Ion Channel Blockers and Methods for Use TRPV1, TRPV2, TRPV5 ALDH1A1 2736/4885KEAP1 1001/4885GABRA1 638/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 ALDH1A1 164/4885KEAP1 1854/4885GABRA1 269/4885
US-20230365543-A1 MATRIX METALLOPROTEINASE (MMP) INHIBITORS AND METHODS OF USE THEREOF MMP12, MMP1, MMP11 ALDH1A1 2785/4885KEAP1 1159/4885GABRA1 4860/4885
US-11673884-B2 Matrix metalloproteinase (MMP) inhibitors and methods of use thereof MMP12, MMP1, MMP11 ALDH1A1 1950/4885KEAP1 808/4885GABRA1 4846/4885
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 ALDH1A1 4239/4885KEAP1 910/4885GABRA1 2547/4885
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC1R, MC3R, MC2R ALDH1A1 2971/4885KEAP1 1841/4885GABRA1 252/4885
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 ALDH1A1 143/4885KEAP1 74/4885GABRA1 2502/4885
US-10842798-B1 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 ALDH1A1 2736/4885KEAP1 1001/4885GABRA1 638/4885
US-20200290965-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV2, TRPV5 ALDH1A1 2736/4885KEAP1 1001/4885GABRA1 638/4885
US-11701370-B2 Phosphonium ion channel blockers and methods for use TRPV1, TRPV5, TRPA1 ALDH1A1 3411/4885KEAP1 791/4885GABRA1 1072/4885
US-11643404-B2 Ester substituted ion channel blockers and methods for use TRPV1, TRPA1, TRPV2 ALDH1A1 1138/4885KEAP1 691/4885GABRA1 548/4885

“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.