SCHEMBL2989121

SCHEMBL2989121

OCCCc1c(O)cccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
CA2 P00918 4/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
EGFR P00533 2/20 0.39
LMNA P02545 2/20 0.39
FYN P06241 2/20 0.39
MMP9 P14780 2/20 0.39
ALOX15 P16050 2/20 0.39
RECQL P46063 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CA1 P00915 2/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
CA6 P23280 1/20 0.39
CDK2 P24941 1/20 0.39
MMP12 P39900 1/20 0.39

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
SCHEMBL28929217 0.93 CA2 (0.38) KDM4EPOLBCA2HPGDALDH1A1
SCHEMBL10011721 0.87 HPGD (0.45) KDM4EPOLBCA2HPGDALDH1A1
SCHEMBL10012978 0.87 SLC28A3 (0.46) KDM4EPOLBCA2HPGDALDH1A1
SCHEMBL9580544 0.87 TRPA1 (0.46) KDM4EPOLBCA2HPGDALDH1A1
SCHEMBL6582640 0.85 KDM4E (0.36) KDM4EPOLBCA2HPGDALDH1A1
SCHEMBL137678 0.85 TSHR (0.45) KDM4EPOLBALDH1A1LMNAHSD17B10
SCHEMBL29529062 0.85 KDM4E (0.36) KDM4EPOLBCA2HPGDALDH1A1
SCHEMBL10890690 0.85 TSHR (0.43) KDM4EPOLBCA2HPGDALDH1A1
SCHEMBL7708587 0.84 KDM4E (0.41) KDM4EPOLBCA2HPGDALDH1A1
SCHEMBL10011502 0.84 HPGD (0.43) KDM4EPOLBCA2HPGDALDH1A1

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
US-7777073-B2 Topical delivery system for antiaging and skin whitening agents BIODERM RESEARCH (US) 2010-08-17 US disclosed
US-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents BIODERM RESEARCH (US) 2009-03-19 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-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents TYR, MMP17, MMP1 KDM4E 1048/4885POLB 247/4885CA2 4012/4885

“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.