SCHEMBL979654

SCHEMBL979654

O=C1CCCC/C1=C/c1ccccc1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.92
HTT P42858 1/20 0.92
CYP1A2 P05177 2/20 0.68
F3 P13726 1/20 0.68
AKR1C3 P42330 1/20 0.61
AKR1C1 Q04828 1/20 0.61
MAPT P10636 5/20 0.61
HPGD P15428 4/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MGAM O43451 3/20 0.56
GAA P10253 3/20 0.56
SI P14410 3/20 0.56
MGAM2 Q2M2H8 3/20 0.56
LMNA P02545 2/20 0.55
MIF P14174 2/20 0.54
KMT2A Q03164 2/20 0.51
EGFR P00533 2/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL10734311 1.00 ALDH1A1 (0.92) ALDH1A1HTTCYP1A2F3AKR1C3
SCHEMBL979655 1.00 ALDH1A1 (0.92) ALDH1A1HTTCYP1A2F3AKR1C3
SCHEMBL9047295 0.98 ALDH1A1 (0.89) ALDH1A1HTTCYP1A2F3AKR1C3
SCHEMBL11807335 0.98 ALDH1A1 (0.89) ALDH1A1HTTCYP1A2F3AKR1C3
SCHEMBL9047298 0.98 ALDH1A1 (0.89) ALDH1A1HTTCYP1A2F3AKR1C3
SCHEMBL11807333 0.98 ALDH1A1 (0.89) ALDH1A1HTTCYP1A2F3AKR1C3
SCHEMBL10959168 0.98 ALDH1A1 (0.89) ALDH1A1HTTCYP1A2F3AKR1C3
SCHEMBL812295 0.96 ALDH1A1 (1.00) ALDH1A1HTTCYP1A2F3AKR1C3
SCHEMBL1524525 0.96 ALDH1A1 (1.00) ALDH1A1HTTCYP1A2F3AKR1C3
SCHEMBL809531 0.96 ALDH1A1 (1.00) ALDH1A1HTTCYP1A2F3AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111217769-A Method for synthesizing epoxy compound by catalyzing olefin epoxidation through nano aluminum oxide 华南理工大学 2020-06-02 CN claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
US-7807856-B2 Process for production of 2-Benzylphenol compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-05 US claimed
US-20080275264-A1 PROCESS FOR THE PREPARATION OF HALOGENOALKYLDIALKYL CHLOROSILANE RHODIA CHIMIE (FR) 2008-11-06 US claimed
US-7413579-B2 Method for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-19 US claimed
US-20080194882-A1 Process For Production of 2-Benzylphenol Compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2008-08-14 US claimed
EP-1633761-B1 METHOD OF PREPARING HALOGENOALKYLDIALKYLCHLOROSILANE RHODIA CHIMIE SA (FR) 2008-05-07 EP claimed
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 US claimed
US-20070185344-A1 Method of preparing halogenoalkyldialkyl chlorosilane RHODIA CHIMIE (FR) 2007-08-09 US claimed
EP-1810957-A1 METHOD FOR PRODUCING 2-BENZYLPHENOL COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2007-07-25 EP claimed
EP-1434557-B1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KGAA (DE) 2005-11-09 EP claimed
US-20050144740-A1 Agents used for dyeing keratinous fibers HENKEL AG & CO. KGAA (DE) 2005-07-07 US claimed
WO-2004113354-A2 METHOD OF PREPARING HALOGENOALKYLDIALKYLCHLOROSILANE RHODIA CHIMIE (FR) 2004-12-29 WO claimed
EP-0378953-B1 Benzylidene azolyl methyl cycloalkane and its use as a fungicide RHONE POULENC AGROCHIMIE (FR) 1996-06-05 EP claimed
US-5489623-A APPLYING POLYMER TO SURFACE, EXPOSING TO INCIDENT PHOTONICRADIATION TO RENDER PORTIONS LESS SOLUBLE OR DISPERSIBLE THE DOW CHEMICAL COMPANY (US) 1996-02-06 US claimed
EP-0676062-A1 PHOTODEFINABLE POLYMERS CONTAINING PERFLUOROCYCLOBUTANE GROUPS THE DOW CHEMICAL COMPANY (US) 1995-10-11 EP claimed
US-5426164-A Solvent and chemical resistant coatings and photoresists; photocuring of perfluorovinyl polymers containing photo active sites; cyclization THE DOW CHEMICAL COMPANY (US) 1995-06-20 US claimed
WO-1994015258-A1 PHOTODEFINABLE POLYMERS CONTAINING PERFLUOROCYCLOBUTANE GROUPS THE DOW CHEMICAL COMPANY (US) 1994-07-07 WO claimed
EP-0223373-A1 Water-soluble photoinitiators AUTOTYPE INTERNATIONAL LIMITED (GB) 1987-05-27 EP claimed
EP-0164598-A2 Photosensitive resin composition and process for forming photo-resist pattern using the same NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1985-12-18 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20080194882-A1 Process For Production of 2-Benzylphenol Compound CYP1B1, CYP4B1, CYP1A1 ALDH1A1 1026/4885HTT 2366/4885CYP1A2 17/4885
US-20070185344-A1 Method of preparing halogenoalkyldialkyl chlorosilane HACL2, UBE3C, MCCC2 ALDH1A1 777/4885HTT 894/4885CYP1A2 657/4885
US-20080275264-A1 PROCESS FOR THE PREPARATION OF HALOGENOALKYLDIALKYL CHLOROSILANE HDHD5, DDC, HACL2 ALDH1A1 428/4885HTT 820/4885CYP1A2 422/4885
US-20050144740-A1 Agents used for dyeing keratinous fibers KRT18, TUBB3, DSG1 ALDH1A1 343/4885HTT 1623/4885CYP1A2 2586/4885

“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.