SCHEMBL50614

SCHEMBL50614

Cc1cc2c(C)ccc(C)c2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
POLB P06746 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
KDM4E B2RXH2 7/20 0.52
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AHR P35869 1/20 0.40
KIF11 P52732 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 4/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.35
HMBS P08397 1/20 0.35

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
SCHEMBL21739999 0.84 GAA (0.48) ALDH1A1MAPTGAAPOLBRXFP1
SCHEMBL22408202 0.82 KDM4E (0.41) ALDH1A1MAPTGAAPOLBRXFP1
SCHEMBL22408523 0.82 KDM4E (0.41) ALDH1A1MAPTGAAPOLBRXFP1
SCHEMBL22408526 0.79 KDM4E (0.45) ALDH1A1MAPTGAAPOLBRXFP1
SCHEMBL10996378 0.79 NQO2 (0.47) ALDH1A1MAPTGAAPOLBRXFP1
SCHEMBL14115030 0.78 ALDH1A1 (0.43) ALDH1A1MAPTGAAPOLBRXFP1
SCHEMBL11398154 0.76 HSD17B10 (0.41) ALDH1A1MAPTGAAPOLBRXFP1
SCHEMBL16382716 0.75 MAPT (0.44) ALDH1A1MAPTGAAPOLBRXFP1
SCHEMBL10935462 0.72 NPY5R (0.50) MAPTGAAKDM4ESMN1; SMN2HSD17B10
SCHEMBL9177067 0.70 ALDH1A1 (0.62) ALDH1A1MAPTGAAPOLBRXFP1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3928836-B1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-09-18 EP disclosed
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-18 US disclosed
US-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 US disclosed
EP-3377483-B9 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-08-03 EP disclosed
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-06-09 US disclosed
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-02-08 US disclosed
EP-3928836-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-12-29 EP disclosed
CN-112047870-B Preparation method of 7-alkyl indole derivative 浙江工业大学 2021-10-12 CN disclosed
CN-112047870-A Preparation method of 7-alkyl indole derivative 浙江工业大学 2020-12-08 CN disclosed
CN-108349949-B N-substituted indole derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2020-11-17 CN disclosed
US-20200289507-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-09-17 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-8128970-B2 Sesame seed derived pigments OMNICA GMBH (DE) 2012-03-06 US disclosed
US-20100028474-A1 SESAME SEED DERIVED PIGMENTS OMNICA GMBH (DE) 2010-02-04 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 (8 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-11787791-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 ALDH1A1 869/4885MAPT 2213/4885GAA 1133/4885
US-20200289507-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ALDH1A1 761/4885MAPT 4570/4885GAA 4885/4885
US-20230295140-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 ALDH1A1 869/4885MAPT 2213/4885GAA 1133/4885
US-20100028474-A1 SESAME SEED DERIVED PIGMENTS TYR, HCCS, NQO1 ALDH1A1 270/4885MAPT 1306/4885GAA 86/4885
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ALDH1A1 761/4885MAPT 4570/4885GAA 4885/4885
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ALDH1A1 761/4885MAPT 4570/4885GAA 4885/4885
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ALDH1A1 761/4885MAPT 4570/4885GAA 4885/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ALDH1A1 3524/4885MAPT 4883/4885GAA 2007/4885

“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.