SCHEMBL25328481

SCHEMBL25328481

CCc1cc(OC(C)C)c(C)c(C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.40
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
BRPF1 P55201 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
LTB4R Q15722 1/20 0.33
RORC P51449 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL25329540 0.88 ALDH1A1 (0.40) ALDH1A1TSHRIDO1TDO2KDM4E
SCHEMBL25330323 0.86 ALDH1A1 (0.36) ALDH1A1TSHRIDO1TDO2KDM4E
SCHEMBL30356408 0.79 FASN (0.46) TAAR1MAPTFASN
SCHEMBL25329412 0.79 ALDH1A1 (0.40) ALDH1A1TSHRALOX15ALOX12TAAR1
SCHEMBL25328532 0.78 TSHR (0.41) ALDH1A1TSHRKDM4EHPGDMAPT
SCHEMBL25330911 0.77 CA1 (0.36) ALDH1A1IDO1TDO2HPGDIRAK4
SCHEMBL25329202 0.75 GABRA1 (0.36) ALDH1A1KDM4ETAAR1HSD17B10FASN
SCHEMBL25330932 0.75 MAPT (0.43) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL25329017 0.75 ALDH1A1 (0.35) ALDH1A1TSHRIDO1TDO2IRAK4
SCHEMBL25329390 0.74 ALOX15 (0.46) ALDH1A1TSHRIDO1TDO2KDM4E

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
US-12583813-B2 Polymerization inhibitors BASF SE (DE) 2026-03-24 US disclosed
US-20230242472-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2023-08-03 US disclosed
EP-4161892-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2023-04-12 EP disclosed
CN-115697954-A Polymerization inhibitor 巴斯夫欧洲公司 2023-02-03 CN 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 (2 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-20230242472-A1 POLYMERIZATION INHIBITORS RCE1, CABLES1, DPYD ALDH1A1 1314/4885TSHR 4882/4885IDO1 1989/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 ALDH1A1 32/4885TSHR 4664/4885IDO1 2867/4885

“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.