SCHEMBL2978643

SCHEMBL2978643

OCC(O)N(CCc1c(O)cccc1O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL4130227 0.84 HTR1A (0.45) HTR2A
SCHEMBL2978606 0.80 AKR1B1 (0.33) KDM4EL3MBTL1
SCHEMBL2978608 0.80 AKR1B1 (0.33) KDM4EL3MBTL1
SCHEMBL27796477 0.78 KDM4E (0.46) KDM4EL3MBTL1
SCHEMBL2988485 0.77 EGFR (0.38) KDM4EL3MBTL1
SCHEMBL2987301 0.77 ALOX5 (0.46)
SCHEMBL2982522 0.65 HTR1A (0.44)
SCHEMBL2982521 0.65 HTR1A (0.44)
SCHEMBL10782682 0.64 HSD17B10 (0.50) KDM4EL3MBTL1
SCHEMBL238983 0.62 ALDH1A1 (0.43) KDM4EL3MBTL1

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
US-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents BIODERM RESEARCH (US) 2009-03-19 US claimed
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 1048/4885L3MBTL1 4455/4885HTR2A 1061/4885

“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.