SCHEMBL3335346

SCHEMBL3335346

CCCC[CH]CC(C)CC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.36
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30
ADH7 P40394 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4450507 0.93 TSHR (0.37) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL3335779 0.91 TSHR (0.41) TSHRADH1BADH1CADH1AADH4
SCHEMBL27592030 0.91 TSHR (0.41) TSHRADH1BADH1CADH1AADH4
SCHEMBL6884225 0.91 TSHR (0.41) TSHRADH1BADH1CADH1AADH4
SCHEMBL56365 0.84
SCHEMBL3337621 0.83 TSHR (0.35) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL308118 0.83 TSHR (0.39) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL7003138 0.81 LMNA (0.39)
SCHEMBL27637092 0.81 TSHR (0.42) TSHRALDH1A1SMN1; SMN2
SCHEMBL3919347 0.81 TSHR (0.39) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838889-A2 LICHESTERINIC ACID AND THE DERIVATIVES OF SAME AS PIGMENTATION INHIBITORS Centre National de la Recherche Scientifique (CNRS) (FR) 2015-02-25 EP claimed
CN-104302632-A Lichenin and derivatives thereof as pigmentation inhibitors CENTRE NAT RECH SCIENT 2015-01-21 CN claimed
WO-2013156738-A2 LICHESTERINIC ACID AND THE DERIVATIVES OF SAME AS PIGMENTATION INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2013-10-24 WO claimed
CN-105755480-B Efficient acidic cleaner 江苏筑磊电子科技有限公司 2018-06-19 CN disclosed
CN-108048653-A Improved metal solvent extracts reagent and application thereof 考格尼斯知识产权管理有限责任公司 2018-05-18 CN disclosed
CN-105506283-B Improved metal solvent extracts reagent and application thereof 考格尼斯知识产权管理有限责任公司 2018-02-06 CN disclosed
EP-2838889-A2 LICHESTERINIC ACID AND THE DERIVATIVES OF SAME AS PIGMENTATION INHIBITORS Centre National de la Recherche Scientifique (CNRS) (FR) 2015-02-25 EP disclosed
CN-104302632-A Lichenin and derivatives thereof as pigmentation inhibitors CENTRE NAT RECH SCIENT 2015-01-21 CN disclosed
WO-2013156738-A2 LICHESTERINIC ACID AND THE DERIVATIVES OF SAME AS PIGMENTATION INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2013-10-24 WO disclosed
US-20100143273-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE APROTIC HYDROCARBON-BASED VOLATILE SOLVENT L'OREAL S.A. (FR) 2010-06-10 US disclosed
EP-2083789-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE APROTIC HYDROCARBON-BASED VOLATILE SOLVENT L'Oréal (FR) 2009-08-05 EP disclosed
US-6420396-B1 TREATMENT OF CANCER, ARTERIOSCLEROSIS, RESTENOSIS, OSTEOLYTIC DISORDERS, OPHTHALMIC DISORDERS, AND THEIR USE AS INTEGRIN ANTAGONISTS. INHIBITING ANGIOGENESIS BEIERSDORF AG (DE) 2002-07-16 US disclosed
US-20020016461-A1 Biphenyl and biphenyl-analogous compounds as integrin antagonists BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-02-07 US disclosed
EP-1140809-A1 NEW BIPHENYL AND BIPHENYL-ANALOGOUS COMPOUNDS AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-10 EP disclosed
US-6162571-A PHOTOCONDUCTIVE IMAGING MEMBER COMPRISED OF AN UNSYMMETRICAL PERYLENE; PHOTOACTIVE COMPONENT IN PHOTOCONDUCTIVE IMAGING MEMBERS USEFUL IN ELECTROPHOTOGRAPHIC PRINTING; ORGANIC SOLAR CELLS XEROX CORPORATION (US) 2000-12-19 US disclosed
WO-2000035864-A1 NEW BIPHENYL AND BIPHENYL-ANALOGOUS COMPOUNDS AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-06-22 WO disclosed
EP-0152765-A2 Disozo dyestuffs, process for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1985-08-28 EP disclosed
EP-0033928-B1 USE OF ALKYL-SUBSTITUTED 1,3-DIOXOLANES AS PERFUMES, AND PERFUME COMPOSITIONS CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1985-05-08 EP disclosed
US-4435315-A COSMETICS, DETERGENTS HENKEL KOMMANDITGESELLSCHAFT AUF ATKIEN (DE) 1984-03-06 US disclosed
EP-0033928-A2 Use of alkyl-substituted 1,3-dioxolanes as perfumes, and perfume compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-08-19 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 (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-20020016461-A1 Biphenyl and biphenyl-analogous compounds as integrin antagonists ITGB1, ITGB2, ITGB3 TSHR 377/4885ALDH1A1 635/4885ADH1B 2447/4885

“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.