SCHEMBL797521

SCHEMBL797521

C=C(C)C1C=C[C](C)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
ALOX15 P16050 1/20 0.31
CYP1B1 Q16678 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.30
TRPA1 O75762 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
SCHEMBL1648859 0.78 CYP2C19 (0.33) LMNAALOX15CYP1B1ALDH1A1TSHR
SCHEMBL8096482 0.75 ALOX15 (0.39) LMNAALOX15CYP1B1ALDH1A1
SCHEMBL11682073 0.70
SCHEMBL29582888 0.69 LMNA (0.41) LMNA
SCHEMBL22878741 0.67
SCHEMBL20522668 0.67 ALDH1A1 (0.39) LMNAALOX15CYP1B1ALDH1A1TSHR
SCHEMBL22528210 0.67 ALDH1A1 (0.39) LMNAALOX15CYP1B1ALDH1A1TSHR
SCHEMBL2941361 0.67 LMNA (0.46) LMNAALOX15CYP1B1ALDH1A1TRPA1
SCHEMBL2697033 0.66 LMNA (0.45) LMNA
SCHEMBL25217392 0.65

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
US-8906351-B2 2,2′-furoin derivatives and use thereof to light skin MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
EP-2616040-B1 2,2'-FUROIN DERIVATIVES AND THEIR USE FOR SKIN LIGHTENING MERCK PATENT GMBH (DE) 2014-10-22 EP disclosed
EP-2616040-A1 2,2'-FUROIN DERIVATIVES AND USE THEREOF TO LIGHTEN SKIN Merck Patent GmbH (DE) 2013-07-24 EP disclosed
US-20130164230-A1 2,2'-FUROIN DERIVATIVES AND USE THEREOF TO LIGHT SKIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-27 US disclosed
WO-2012034629-A1 2,2'-FUROIN DERIVATIVES AND USE THEREOF TO LIGHTEN SKIN MERCK PATENT GMBH (DE) 2012-03-22 WO 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-20130164230-A1 2,2'-FUROIN DERIVATIVES AND USE THEREOF TO LIGHT SKIN TYR, ALDH1A2, MC1R LMNA 1329/4885ALOX15 125/4885CYP1B1 5/4885

“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.