SCHEMBL4278063

SCHEMBL4278063

Cc1cc[c]c(C(=O)O)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.35
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
AKR1B10 O60218 1/20 0.33
TRPA1 O75762 1/20 0.33
ABCB11 O95342 1/20 0.33
DHFR P00374 1/20 0.33
LMNA P02545 1/20 0.33
MPO P05164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
AKR1B1 P15121 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
AKR1C3 P42330 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
SCHEMBL8644706 0.85 KDM4E (0.38) ALDH1A1MEN1KMT2ATDP1AKR1B10
SCHEMBL11300864 0.83
SCHEMBL8446506 0.81 SIRT3 (0.33) ALDH1A1TDP1HSD17B10
SCHEMBL8641020 0.81 TDP1 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL7497102 0.79 MEN1 (0.33) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL22325476 0.78 TDP1 (0.39) ALDH1A1TDP1LMNACYP3A4KDM4E
SCHEMBL1899738 0.74 HPGD (0.41) MCL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7479727 0.72 PRSS1 (0.36)
SCHEMBL9158798 0.70 TSHR (0.35) ALDH1A1CYP1A2NAPRTSRD5A2DAO
SCHEMBL4278064 0.70 TDP1 (0.39) MCL1ALDH1A1SMN1; SMN2KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10251392-B2 Antimicrobial devices and compositions AVENT, INC. (US) 2019-04-09 US disclosed
US-20150140088-A1 SPIROSTEROID SYSTEMS ACTING AS NEUROPROTECTIVE AND ANTI-INFLAMMATORY AGENTS CENTRO DE INVESTIGACION Y DESARROLLO DE LOS MEDICAMENTOS (CIDEM) (CU) 2015-05-21 US disclosed
EP-2801581-A1 SPIROSTEROIDAL SYSTEMS HAVING NEUROACTIVE, ANTI-INFLAMMATORY EFFECTS Centro de Investigación y Desarrollo de los Medicamentos (CIDEM) (US) 2014-11-12 EP disclosed
US-20090035342-A1 Antimicrobial Devices and Compositions AVANOS MEDICAL SALES, LLC 2009-02-05 US disclosed
EP-1781098-A2 ANTIMICROBIAL DEVICES AND COMPOSITIONS ACRYMED, INC. (US) 2007-05-09 EP disclosed
WO-2006015317-A2 ANTIMICROBIAL DEVICES AND COMPOSITIONS ACRYMED, INC. (US) 2006-02-09 WO disclosed
US-4551350-A AMINO PLAST SWS SILICONES CORPORATION (US) 1985-11-05 US disclosed
US-4520176-A DILUENT, DURABLE PRESS RESIN CONTAINING AN AMINOPLAST AND AN ALOEHYDE SWS SILICONES CORPORATION (US) 1985-05-28 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 (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-20150140088-A1 SPIROSTEROID SYSTEMS ACTING AS NEUROPROTECTIVE AND ANTI-INFLAMMATORY AGENTS NR3C2, GRIN3A, CYP46A1 MCL1 4568/4885ALDH1A1 610/4885SMN1; SMN2 2544/4885
US-10251392-B2 Antimicrobial devices and compositions AAAS, AOC1, COL14A1 MCL1 1486/4885ALDH1A1 178/4885SMN1; SMN2 2723/4885
US-20090035342-A1 Antimicrobial Devices and Compositions AAAS, AOC1, COL14A1 MCL1 1486/4885ALDH1A1 178/4885SMN1; SMN2 2723/4885

“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.