SCHEMBL17549596

SCHEMBL17549596

CCCOc1cc(O)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
TSHR P16473 5/20 0.45
CYP3A4 P08684 1/20 0.43
RECQL P46063 1/20 0.43
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
MGAM O43451 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
SCHEMBL3995606 0.91 LTA4H (0.50) LTA4HTSHRCYP3A4RECQLALDH1A1
SCHEMBL17445869 0.87 NR5A1 (0.56) LTA4HTSHRCYP3A4ALDH1A1MAPT
SCHEMBL9699699 0.87 NR5A1 (0.56) LTA4HTSHRCYP3A4ALDH1A1MAPT
SCHEMBL14747883 0.85 ESR1 (0.49) LTA4HPTGS1PTGS2ALDH1A1GAA
SCHEMBL1186397 0.84 RECQL (0.46) LTA4HTSHRCYP3A4RECQLALDH1A1
SCHEMBL863092 0.84 MAPT (0.51) LTA4HTSHRALDH1A1GAAMAPT
SCHEMBL2442358 0.82 MAOB (0.55) LTA4HALDH1A1GAAMAPTKDM4E
SCHEMBL30118840 0.82 MAOB (0.55) LTA4HALDH1A1GAAMAPTKDM4E
SCHEMBL172302 0.80 TSHR (0.61) TSHRALDH1A1MAPTKDM4EHTT
SCHEMBL4389330 0.79 MAPT (0.51) LTA4HTSHRCYP3A4ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115697954-A Polymerization inhibitor 巴斯夫欧洲公司 2023-02-03 CN disclosed
US-20160060260-A1 BROMODOMAIN INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-03-03 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-20160060260-A1 BROMODOMAIN INHIBITORS FOR TREATING DISEASE BRDT, BRPF3, BRWD1 LTA4H 3000/4885TSHR 3538/4885CYP3A4 4855/4885

“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.