SCHEMBL3661700

SCHEMBL3661700

CCCCC1C(C)CCCC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.34
UGT2B7 P16662 4/20 0.33

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
SCHEMBL23086227 0.94 UGT2B7 (0.35) CYP1A2TDP1UGT2B7
SCHEMBL17633428 0.93 EPHX1 (0.36) CYP1A2UGT2B7
Hexane SCHEMBL5010365 0.84 DNM1 (0.39)
SCHEMBL7940649 0.83 UGT2B7 (0.49) UGT2B7
SCHEMBL7939563 0.83 UGT2B7 (0.49) UGT2B7
Hexane SCHEMBL16457845 0.82 UGT2B7 (0.32) UGT2B7
Propanol SCHEMBL1942397 0.81 UGT2B7 (0.36) UGT2B7
SCHEMBL10987091 0.81 EPHX1 (0.38) CYP1A2
SCHEMBL7933164 0.81 TBXA2R (0.31)
SCHEMBL6143123 0.81 PRKD3 (0.35)

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8073334-A None JP disclosed
EP-4110336-A1 DIROFILARIA VOLATILE ORGANIC COMPOUND SIGNATURES AND USES THEREOF Auburn University (US) 2023-01-04 EP disclosed
CN-106501426-B Feel the Seedling Stage soya bean plant volatiles collection method and device of poisonous insect damage induction 上海市农业科学院 2018-09-28 CN disclosed
CN-106501426-A The Seedling Stage Semen Glyciness plant volatiles collection method of sense poisonous insect damage induction and device 上海市农业科学院 2017-03-15 CN disclosed
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
WO-2006014545-A1 GILSONITE DERIVED PHARMACEUTICAL DELIVERY COMPOSITIONS AND METHODS : COSMETIC AND NAIL APPLICATIONS DPC PRODUCTS, INC. (US) 2006-02-09 WO disclosed
US-20060018867-A1 Cosmetic composition and production thereof ICHIMARU PHARCOS CO., LTD 2006-01-26 US disclosed
US-20060008516-A1 Gilsonite derived pharmaceutical delivery compositions and methods: cosmetic applications DPC PRODUCTS, INC. 2006-01-12 US disclosed
US-20060008432-A1 Gilsonite derived pharmaceutical delivery compositions and methods: nail applications DPC PRODUCTS, INC. 2006-01-12 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
JP-H0873334-A MELANOGENESIS INHIBITOR AND SKIN EXTERNAL PREPARATION POLA CHEM IND INC 1996-03-19 JP disclosed
EP-0359953-A1 Dihydroxydiphenylcycloalkanes, their preparation and their use for the preparation of high molecular polycarbonates BAYER AG (DE) 1990-03-28 EP disclosed
US-4246292-A Substituted cyclohexanones as flavor materials NAARDEN INTERNATIONAL N.V. (NL) 1981-01-20 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 (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 4758/4885TDP1 703/4885UGT2B7 4187/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR CYP1A2 3751/4885TDP1 814/4885UGT2B7 3469/4885

“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.