SCHEMBL3661439

SCHEMBL3661439

CCCC(C)(C)c1ccc(OC)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.58
CNR2 P34972 12/20 0.58
ESR1 P03372 4/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
AR P10275 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL6826185 0.87 CNR1 (0.51) CNR1CNR2CYP1A2CYP3A4TSHR
SCHEMBL20942165 0.87 CNR2 (0.52) CNR1CNR2ESR1TSHRAR
SCHEMBL3662594 0.86 CNR1 (0.50) CNR1CNR2CYP1A2CYP3A4TSHR
SCHEMBL16197311 0.84 CNR2 (0.55) CNR1CNR2
SCHEMBL5890023 0.81 ALDH1A1 (0.47) CNR1CNR2CYP1A2CYP3A4TSHR
SCHEMBL14243146 0.78 APP (0.50) CYP1A2CYP3A4TSHRNFKB1ALOX15
SCHEMBL30135395 0.78 ALDH1A1 (0.59) CYP1A2CYP3A4TSHRNFKB1ALOX15
SCHEMBL420149 0.78 ALDH1A1 (0.59) CYP1A2CYP3A4TSHRNFKB1ALOX15
SCHEMBL6337285 0.78 GAA (0.54) CNR1CNR2CYP1A2CYP3A4TSHR
SCHEMBL5890020 0.78 ALDH1A1 (0.50) CNR1CNR2CYP1A2CYP3A4TSHR

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 CNR1 4424/4885CNR2 4493/4885ESR1 4754/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR CNR1 4603/4885CNR2 4645/4885ESR1 4380/4885

“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.