SCHEMBL1661024

SCHEMBL1661024

O=C(O)c1c(-c2ccc3ccccc3c2C(=O)O)ccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.63
ALDH1A1 P00352 5/20 0.63
HPGD P15428 4/20 0.63
KDM4E B2RXH2 4/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
GLA P06280 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C19 P33261 1/20 0.63
WDR5 P61964 1/20 0.53
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
LDHA P00338 1/20 0.52
METAP2 P50579 2/20 0.51
METAP1 P53582 1/20 0.51
CDC25B P30305 1/20 0.50
SOS1 Q07889 1/20 0.47
DNMT1 P26358 1/20 0.47
TSHR P16473 2/20 0.46

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
SCHEMBL10783918 0.94 MEN1 (0.57) HSD17B10ALDH1A1HPGDKDM4EMEN1
SCHEMBL5613007 0.91 CYP2C19 (0.53) HSD17B10ALDH1A1HPGDKDM4EMEN1
SCHEMBL1195261 0.90 MEN1 (0.57) HSD17B10ALDH1A1HPGDKDM4EMEN1
SCHEMBL6378389 0.84 MEN1 (0.50) HSD17B10ALDH1A1HPGDKDM4EMEN1
SCHEMBL10783912 0.84 CYP1A2 (0.55) HSD17B10ALDH1A1HPGDKDM4EMEN1
SCHEMBL27970017 0.82 METAP2 (0.53) HSD17B10ALDH1A1HPGDKDM4EMEN1
SCHEMBL6932656 0.82 SLC6A3 (0.55) HSD17B10ALDH1A1HPGDKDM4EMEN1
SCHEMBL4950823 0.82 KMT2A (0.49) HSD17B10ALDH1A1HPGDKDM4EMEN1
SCHEMBL8849467 0.81 WDR5 (0.58) HSD17B10ALDH1A1HPGDKDM4EMEN1
SCHEMBL2126368 0.81 KDM4E (0.47) HSD17B10ALDH1A1HPGDKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1958940-B1 CONDENSATION REACTION BY METAL CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2013-06-26 EP disclosed
US-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST MASHIMA KAZUSHI 2011-04-28 US disclosed
US-7888513-B2 Condensation reaction by metal catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-15 US disclosed
US-20090198070-A1 Condensation Reaction by Metal Catalyst OSAKA UNIVERSITY (JP) 2009-08-06 US disclosed
EP-1958940-A1 CONDENSATION REACTION BY METAL CATALYST Takasago International Corporation (JP) 2008-08-20 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 (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-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST C9, CBR3, C1R HSD17B10 564/4885ALDH1A1 2265/4885HPGD 4312/4885
US-20090198070-A1 Condensation Reaction by Metal Catalyst C9, CBR3, C1R HSD17B10 564/4885ALDH1A1 2265/4885HPGD 4312/4885

“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.