SCHEMBL41001

SCHEMBL41001

[CH2]c1c(C)cc(C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 8/20 0.45
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 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
SCHEMBL28040386 0.97 RAPGEF4 (0.43) RAPGEF4ALDH1A1KDM4ELMNAGAA
Methylamine SCHEMBL27579793 0.94 RAPGEF4 (0.41) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL28482601 0.88 RAPGEF4 (0.38) RAPGEF4ALDH1A1KDM4ELMNAGAA
Zinc Chloride SCHEMBL28046268 0.88 RAPGEF4 (0.38) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL11204122 0.80 RAPGEF4 (0.40) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL10880511 0.80 RAPGEF4 (0.39) RAPGEF4ALDH1A1LMNAMAPTTSHR
SCHEMBL8384844 0.76 RAPGEF4 (0.43) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL26617131 0.76 KMT2A (0.39) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL6741463 0.73 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL11208413 0.73 RAPGEF4 (0.34) RAPGEF4CA1ACHE

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

Appears in 5210 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116253721-B N- (4-indolyl) -N' -alkyl imidazole salt and application thereof 昆明理工大学 2024-05-14 CN claimed
US-11926758-B2 Polytriazole coating materials for metal substrates SAUDI ARABIAN OIL COMPANY (SA) 2024-03-12 US claimed
CN-117486780-A 1-benzyl isatin derivative and preparation method and application thereof 武汉大学人民医院(湖北省人民医院) 2024-02-02 CN claimed
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION FIBROGEN, INC. 2024-01-04 US claimed
US-11814473-B2 Polytriazole copolymer compositions SAUDI ARABIAN OIL COMPANY (SA) 2023-11-14 US claimed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
CN-111051288-B Industrial process for monoalkylating piperidine nitrogen in piperidine derivatives with deuterated alkyl groups 大塚制药株式会社 2023-08-25 CN claimed
CN-115974832-B Disulfide bond-containing N-acetyl-L-cysteine derivative and preparation method and application thereof 山东大学 2023-08-01 CN claimed
EP-4204400-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION Fibrogen, Inc. (US) 2023-07-05 EP claimed
US-4228063-A Flame-retardant, polyphenylene-ether resin compositions containing a 2,5,5-trisubstituted 1,3,2-dioxaphosphorinane-2-oxide AMERICAN CYANAMID COMPANY (US) 1980-10-14 US claimed
EP-0010347-A1 Novel substituted omega-aroyl(propionyl or butyryl)-L-prolines, pharmaceutical compositions containing them and processes for their preparation AMERICAN CYANAMID COMPANY (US) 1980-04-30 EP claimed
US-4181733-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-01-01 US claimed
US-4167630-A Process for epimerizing beta-lactam antibiotic compounds, and related products MERCK & CO., INC. (US) 1979-09-11 US claimed
US-4162278-A Flame retardant polyphenylene ether resin compositions containing a pentaerythrityl phosphonate AMERICAN CYANAMID COMPANY (US) 1979-07-24 US claimed
US-4107432-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-08-15 US claimed
US-4058661-A 7-Diacyl cephalosporins MERCK & CO., INC. (US) 1977-11-15 US claimed
US-4053286-A ACYLATION MERCK & CO., INC. (US) 1977-10-11 US claimed
US-4051132-A Process for epimerizing beta-lactam antibiotic compounds by means of an acid quench MERCK & CO., INC. (US) 1977-09-27 US claimed
US-4014873-A Process for the production of 7-acylamidocephalosporins MERCK & CO., INC. (US) 1977-03-29 US claimed