SCHEMBL6939154

SCHEMBL6939154

CC(C)(C)c1ccc2c(c1)C(O)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.39
HTR7 P34969 3/20 0.39
DRD2 P14416 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
NPY4R P50391 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
SCHEMBL17563592 1.00 CHRM4 (0.39) CHRM4HTR7DRD2ALDH1A1HPGD
SCHEMBL17563591 1.00 CHRM4 (0.39) CHRM4HTR7DRD2ALDH1A1HPGD
SCHEMBL10256296 0.90 LMNA (0.41) CHRM4HTR7DRD2ALDH1A1HPGD
SCHEMBL16790833 0.86 HTR2C (0.41) CHRM4HTR7DRD2HTR2AHTR2C
SCHEMBL22758499 0.86 PGR (0.43) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL18253222 0.86 PGR (0.43) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL9280856 0.86 PGR (0.43) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL10511904 0.82 CHRM4 (0.38) CHRM4HTR7DRD2HTR2AHTR2C
SCHEMBL3684837 0.82 HTR2C (0.50) CHRM4HTR7HTR2AHTR2CHTR2B
SCHEMBL9280547 0.82 HTR2C (0.50) CHRM4HTR7HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-9828364-B2 Pyrazole compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-28 US disclosed
US-9828364-B2 Pyrazole compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-28 US disclosed
US-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof HELSINN HEALTHCARE SA (CH) 2017-09-28 US disclosed
US-9725434-B2 Hydroxy-substituted orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
US-9725434-B2 Hydroxy-substituted orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
US-20160340339-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-24 US disclosed
US-20160340339-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-24 US disclosed
US-20160068510-A1 HYDROXY-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-03-10 US disclosed
EP-1157047-B1 LIGANDS AND CATALYSTS FOR PRODUCING ELASTOMERIC PROPYLENE POLYMERS BP CORP NORTH AMERICA INC (US) 2003-04-23 EP disclosed
US-6479424-B1 FOR PRODUCING OLEFIN POLYMERS AND ESPECIALLY ELASTOMERIC PROPYLENE POLYMERS BP CORPORATION NORTH AMERICA INC. 2002-11-12 US disclosed
EP-1157047-A1 LIGANDS AND CATALYSTS FOR PRODUCING ELASTOMERIC PROPYLENE POLYMERS BP Corporation North America Inc. (US) 2001-11-28 EP disclosed
WO-2000035975-A1 LIGANDS AND CATALYSTS FOR PRODUCING ELASTOMERIC PROPYLENE POLYMERS BP CORPORATION NORTH AMERICA INC. (US) 2000-06-22 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 (4 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 CHRM4 4318/4885HTR7 2401/4885DRD2 4861/4885
US-20160340339-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BTK, SYK, LYN CHRM4 4493/4885HTR7 4085/4885DRD2 4536/4885
US-20160068510-A1 HYDROXY-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CRHR1 CHRM4 360/4885HTR7 37/4885DRD2 184/4885
US-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof UTS2R, GHSR, GRPR CHRM4 1941/4885HTR7 209/4885DRD2 4443/4885

“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.