SCHEMBL4970067

SCHEMBL4970067

CCc1cc(C)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.61
ALDH1A1 P00352 2/20 0.61
ESR1 P03372 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
TTR P02766 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
PMP22 Q01453 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FBP1 P09467 1/20 0.40

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
SCHEMBL5083291 0.89 GPR35 (0.61) GPR35ALDH1A1ESR1KDM4EMEN1
SCHEMBL7030198 0.87 GPR35 (0.62) GPR35ALDH1A1KDM4EMEN1TTR
SCHEMBL12776819 0.84 GPR35 (0.56) GPR35ALDH1A1KDM4EMEN1TTR
SCHEMBL28292691 0.83 GPR35 (0.57) GPR35ALDH1A1ESR1KDM4EMEN1
SCHEMBL10256336 0.81 CYP1A2 (0.52) GPR35ALDH1A1MEN1CYP1A2MAPT
SCHEMBL6838195 0.81 GPR35 (0.47) GPR35ALDH1A1ESR1KDM4EMEN1
SCHEMBL29017090 0.81 GPR35 (0.47) GPR35ALDH1A1ESR1KDM4EMEN1
SCHEMBL11062713 0.78 GPR35 (0.44) GPR35ALDH1A1ESR1KDM4EMEN1
SCHEMBL8297049 0.78 RAB9A (0.59) ALDH1A1KDM4ETTRMAPTTDP1
SCHEMBL29017103 0.78 GPR35 (0.44) GPR35ALDH1A1ESR1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116075424-A Polybenzoxazole, polyamide solution, insulating material for high-frequency electronic parts, high-frequency device, insulating material for high-frequency electronic parts production, process for producing polyamide, process for producing polybenzoxazole, process for producing insulating material for high-frequency electronic parts, and diamine or salt thereof 中央硝子株式会社 2023-05-05 CN disclosed
EP-1682547-B1 RSV POLYMERASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2012-10-24 EP disclosed
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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 (1 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 GPR35 1351/4885ALDH1A1 142/4885ESR1 2839/4885

“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.