SCHEMBL3316758

SCHEMBL3316758

CCCCCCCCCCCCCCCCCCOc1ccc([N+]#N)c(OCCCCCCCCCCCCCCCCCC)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.47
TSHR P16473 3/20 0.46
PLA2G4B P0C869 3/20 0.43
PLA2G2A P14555 1/20 0.43
TP53 P04637 1/20 0.43
SMPD1 P17405 3/20 0.43
LTA4H P09960 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL92107 0.95 LTA4H (0.41) NR5A1TSHRLTA4H
SCHEMBL3312285 0.88 NR5A1 (0.47) NR5A1TSHRPLA2G4BPLA2G2ATP53
SCHEMBL7520689 0.84 TSHR (0.39) TSHRPLA2G4BSMPD1THRATHRB
SCHEMBL2867571 0.82 NR5A1 (0.45) NR5A1TSHRPLA2G4BPLA2G2ATP53
SCHEMBL12083479 0.81 L3MBTL1 (0.41) TSHRTHRB
SCHEMBL13412633 0.80 NR5A1 (0.56) NR5A1TSHRPLA2G4BTP53LTA4H
SCHEMBL3312542 0.79 LMNA (0.50) TSHRPLA2G4BTP53LTA4H
SCHEMBL4741613 0.79 LMNA (0.50) TSHRPLA2G4BTP53LTA4H
SCHEMBL92103 0.79 PLA2G2A (0.50) NR5A1TSHRPLA2G4BPLA2G2ATP53
SCHEMBL1274843 0.79 SLC16A3 (0.41) PLA2G2ATHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1260498-B1 NOVEL COLOR FORMER AND RECORDING MATERIAL CHEMIPRO KASEI KAISHA LTD (JP) 2014-07-09 EP disclosed
US-7807738-B2 Compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2010-10-05 US disclosed
US-20100105941-A1 NOVEL COMPOUND FOR COLOR-PRODUCING COMPOSITION, AND RECORDING MATERIAL KABASHIMA KAZUO 2010-04-29 US disclosed
US-7635662-B2 Compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2009-12-22 US disclosed
EP-1260498-A1 NOVEL COLOR FORMER AND RECORDING MATERIAL Asahi Kasei Kabushiki Kaisha (JP) 2002-11-27 EP disclosed
US-20010044553-A1 Novel compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2001-11-22 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 (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-20010044553-A1 Novel compound for color-producing composition, and recording material UROD, UMPS, UGT1A10 NR5A1 2734/4885TSHR 4526/4885PLA2G4B 3939/4885
US-20100105941-A1 NOVEL COMPOUND FOR COLOR-PRODUCING COMPOSITION, AND RECORDING MATERIAL UMPS, UROD, UGP2 NR5A1 2239/4885TSHR 4493/4885PLA2G4B 4006/4885

“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.