SCHEMBL175910

SCHEMBL175910

C=CCOC(=O)OCc1ccc(OC(=O)OCC=C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
CYP3A4 P08684 1/20 0.41
THRB P10828 2/20 0.41
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL10870487 0.88 CYP3A4 (0.50) CYP3A4THRBHSD17B10MEN1KMT2A
SCHEMBL6151946 0.87 ELANE (0.46) HTR2ACYP3A4THRBHSD17B10MEN1
SCHEMBL159668 0.86 SMN1; SMN2 (0.50) CYP3A4HTTALDH1A1TSHRTP53
SCHEMBL9717273 0.85 ALDH1A1 (0.48) HTR2ACYP3A4THRBHSD17B10ALDH1A1
SCHEMBL6152948 0.83 CYP3A4 (0.46) CYP3A4THRBHSD17B10MEN1KMT2A
SCHEMBL28846119 0.83 SRD5A2 (0.42) CYP3A4THRBHSD17B10HTTALDH1A1
SCHEMBL166548 0.81 CYP3A4 (0.53) CYP3A4HSD17B10KMT2AALDH1A1TSHR
SCHEMBL9717275 0.81 KDM4E (0.45) CYP3A4HSD17B10ALDH1A1TSHRKDM4E
SCHEMBL9174753 0.80 CYP3A4 (0.43) CYP3A4THRBHSD17B10MEN1KMT2A
SCHEMBL9700576 0.80 CYP3A4 (0.43) CYP3A4THRBHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611504-A1 CARBONATE DERIVATIVES AS SKIN CARE Eastman Chemical Company (US) 2013-07-10 EP claimed
US-20120059056-A1 CARBONATE DERIVATIVES AS SKIN CARE EASTMAN CHEMICAL COMPANY (US) 2012-03-08 US claimed
WO-2012030603-A1 CARBONATE DERIVATIVES AS SKIN CARE EASTMAN CHEMICAL COMPANY (US) 2012-03-08 WO claimed

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-20120059056-A1 CARBONATE DERIVATIVES AS SKIN CARE GLA, TYR, GANC HTR2A 4577/4885CYP3A4 1585/4885THRB 4622/4885

“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.