SCHEMBL3661694

SCHEMBL3661694

CCCOCC1CCC(=O)O1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 2/20 0.35
PRKCA P17252 3/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.32
PPARG P37231 1/20 0.31
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL10142173 0.91 CYP1A2 (0.60) CYP1A2SMN1; SMN2ALDH1A1TDP1CA1
SCHEMBL15481751 0.91 CYP1A2 (0.60) CYP1A2SMN1; SMN2ALDH1A1TDP1CA1
SCHEMBL3659189 0.90 CYP1A2 (0.42) CYP1A2SMN1; SMN2ALDH1A1TDP1CA1
SCHEMBL7590243 0.90 CYP1A2 (0.63) CYP1A2SMN1; SMN2ALDH1A1TDP1CA1
SCHEMBL17112326 0.85 CYP1A2 (0.51) CYP1A2SMN1; SMN2ALDH1A1TDP1CA1
SCHEMBL4505131 0.85 CYP1A2 (0.48) CYP1A2CA1CA9TSHRLMNA
SCHEMBL28223229 0.84 CYP1A2 (0.51) CYP1A2SMN1; SMN2CA1CA9PRKCA
SCHEMBL3653546 0.82 CYP1A2 (0.41) CYP1A2SMN1; SMN2ALDH1A1TDP1CA1
SCHEMBL12409732 0.77
SCHEMBL13481228 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9364424-B2 Topical cosmetic skin lightening compositions and methods of use thereof STIEFEL LABORATORIES, INC. (US) 2016-06-14 US disclosed
US-20160074315-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. 2016-03-17 US disclosed
EP-2219600-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. (US) 2010-08-25 EP disclosed
WO-2009067095-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. (US) 2009-05-28 WO disclosed
EP-1602354-B1 Use of polyglutamic acid or its salts MEIJI SEIKA KAISHA (JP) 2008-11-05 EP disclosed
EP-1604647-B1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof CHISSO CORP (JP) 2008-05-07 EP disclosed
US-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair MEIJI SEIKA KAISHA, LTD. (JP) 2006-07-27 US disclosed
US-20060018867-A1 Cosmetic composition and production thereof ICHIMARU PHARCOS CO., LTD 2006-01-26 US disclosed
EP-1604647-A1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof Ichimaru Pharcos Co., Ltd. (JP) 2005-12-14 EP disclosed
EP-1602354-A1 HAIR TREATMENT COMPOSITION AND HAIR COSMETIC FOR DAMAGED HAIR Meiji Seika Kaisha, Ltd. (JP) 2005-12-07 EP 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-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair CUTA, COL14A1, PRKDC CYP1A2 4758/4885SMN1; SMN2 3893/4885ALDH1A1 2963/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR CYP1A2 3751/4885SMN1; SMN2 3339/4885ALDH1A1 1854/4885

“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.