SCHEMBL6726207

SCHEMBL6726207

Cc1cc(C(=O)O)c(C)c2c1SCCC2(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.35
RARA P10276 8/20 0.35
RARB P10826 7/20 0.35
RARG P13631 7/20 0.35
RXRG P48443 6/20 0.35
RXRB P28702 5/20 0.35
HNF4A P41235 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP26A1 O43174 1/20 0.33
ABCB11 O95342 1/20 0.33
ESR1 P03372 1/20 0.33
PGR P06401 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL6721524 0.86 RXRA (0.35) RXRARARARARBRARGRXRG
SCHEMBL9036741 0.86 RARA (0.34) RXRARARARARBRARGRXRG
SCHEMBL6721464 0.85 KDM4E (0.35) RXRARARARARBRARGRXRG
SCHEMBL8346248 0.83 HPGD (0.33) MEN1KMT2AKDM4ETDP1NOTUM
SCHEMBL8344681 0.81 RXRA (0.30) RXRARXRGRXRB
SCHEMBL7828888 0.81 RXRA (0.35) RXRARARARARBRARGRXRG
SCHEMBL6725577 0.77 RARA (0.32) RXRARARARARBRARGPTGS1
SCHEMBL8647409 0.76 ALDH1A1 (0.31)
SCHEMBL6733149 0.75
SCHEMBL7839850 0.75 RARA (0.41) RXRARARARARBRARGRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677460-B1 Aromatic carboxylic acid bicyclic sulfur compounds IDEMITSU KOSAN COMPANY, LIMITED (JP) 2004-01-13 US disclosed
US-20030236421-A1 AROMATIC CARBOXYLIC ACID BICYCLIC SULFUR COMPOUNDS IDEMITSU KOSAN COMPANY, LIMITED (JP) 2003-12-25 US disclosed
US-20020133024-A1 Aromatic carboxylic acid bicyclic sulfur compounds IDEMITSU KOSAN COMPANY, LIMITED (JP) 2002-09-19 US disclosed
US-20010051733-A1 Aromatic carboxylic acid bicyclic sulfur compounds IDEMITSU KOSAN COMPANY, LIMITED (JP) 2001-12-13 US disclosed
EP-0712853-B1 PYRAZOLE DERIVATIVE IDEMITSU KOSAN CO (JP) 2001-02-28 EP disclosed
US-6136755-A HERBICIDES IDEMITSU KOSAN CO., LTD. (JP) 2000-10-24 US disclosed
US-6103668-A Pyrazole derivatives IDEMITSU KOSAN CO., LTD. (JP) 2000-08-15 US disclosed
US-6063936-A CARBOXY SUBSTITUTED BENZOTHIOPHENES USED AS HERBICIDE IDEMITSU KOSAN CO., LTD. (JP) 2000-05-16 US disclosed
US-5767289-A HERBICIDE INTERMEDIATES IDEMITSU KOSAN COMPANY, LIMITED (JP) 1998-06-16 US disclosed
EP-0810227-A1 ISOXAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-12-03 EP disclosed
US-5607898-A HERBICIDES IDEMITSU KOSAN COMPANY, LTD. (JP) 1997-03-04 US disclosed
EP-0712853-A1 PYRAZOLE DERIVATIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 1996-05-22 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 (3 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-20030236421-A1 AROMATIC CARBOXYLIC ACID BICYCLIC SULFUR COMPOUNDS XDH, SULT2A1, NAT1 RXRA 426/4885RARA 2231/4885RARB 2546/4885
US-20010051733-A1 Aromatic carboxylic acid bicyclic sulfur compounds XDH, SULT2A1, NAT1 RXRA 426/4885RARA 2231/4885RARB 2546/4885
US-20020133024-A1 Aromatic carboxylic acid bicyclic sulfur compounds XDH, SULT2A1, NAT1 RXRA 426/4885RARA 2231/4885RARB 2546/4885

“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.