SCHEMBL102139

SCHEMBL102139

Cc1ccc(-c2[c]ccc(C)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
ACHE P22303 2/20 0.36
MAOB P27338 2/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2A6 P11509 2/20 0.35
RAB9A P51151 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 3/20 0.34
MITF O75030 1/20 0.34
NR2F2 P24468 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 4/20 0.32
TP53 P04637 2/20 0.32
HSD17B10 Q99714 1/20 0.32
PKM P14618 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL4125762 0.85 MAOB (0.37) TDP1MAOBRAB9ASMN1; SMN2KDM4E
SCHEMBL11512588 0.85 ACHE (0.41) TDP1ACHEMAOBRAB9ASMN1; SMN2
SCHEMBL1491043 0.85 ACHE (0.41) ACHEMAOBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL3547261 0.85 ACHE (0.41) ACHEMAOBRAB9ANPC1MEN1
SCHEMBL2154312 0.85 AHR (0.34) CYP1A2RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL193137 0.84 MAOB (0.39) TDP1ACHEMAOBCYP2A6RAB9A
SCHEMBL7049757 0.83 ACHE (0.38) TDP1ACHECYP1A2CYP2A6SMN1; SMN2
SCHEMBL7661455 0.82 ACHE (0.45) ACHERAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL6048204 0.82 TSHR (0.45) TDP1RAB9AKDM4EALDH1A1LMNA
SCHEMBL7138582 0.82 ACHE (0.36) ACHECYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2407514-B1 REINFORCED POLYESTER RESIN COMPOSITION ADEKA CORP (JP) 2017-03-01 EP disclosed
US-9394237-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2016-07-19 US disclosed
US-9394236-B2 β-substituted γ-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2016-07-19 US disclosed
US-20150218086-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2015-08-06 US disclosed
US-20150218085-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2015-08-06 US disclosed
US-8975408-B2 Moxifloxacin hydrochloride compounds and intermediates and methods for making same F.I.S.—Fabbrica Italiana Sintetici S.p.A. (IT) 2015-03-10 US disclosed
US-8829084-B2 Reinforced polyester resin composition ADEKA CORPORATION (JP) 2014-09-09 US disclosed
EP-2184321-B1 Thermoplastic resin composition and molded product made using the same CHEIL IND INC (KR) 2014-07-09 EP disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
EP-2197838-B1 NOVEL PHENYLUREA DERIVATIVES, INHIBITORS OF THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RES & DEV (FR) 2013-10-23 EP disclosed
US-5952266-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-14 US disclosed
WO-1999006414-A1 COMPOUNDS CONTAINING BORON AND ALUMINIUM TARGOR GMBH (DE) 1999-02-11 WO disclosed
US-5749925-A Dyeing or printing process with new and known cationic 4,5-dihydro-iH-1,2,3-triazolium compounds as dyestuffs and new cationic 4,5-dihydro-1H-1,2,3-triazolium compounds BAYER AKTIENGESELLSCHAFT (DE) 1998-05-12 US disclosed
EP-0836600-A1 HERBICIDAL KETALS AND SPIROCYCLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-22 EP disclosed
WO-1997001550-A1 HERBICIDAL KETALS AND SPIROCYCLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-16 WO disclosed
US-5134150-A Administering diaryl-substituted imidazothiazoles; antiarthritic agents SMITHKLINE BEECHAM CORPORATION (US) 1992-07-28 US disclosed
US-4584404-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1986-04-22 US disclosed
US-4294925-A FERMENTATION, AEROBIC PROCESSES HOFFMANN-LA ROCHE INC. (US) 1981-10-13 US disclosed
US-4263427-A REACTING HYDROXYL WITH ISOCYANATE TO OBTAIN ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1981-04-21 US disclosed
US-4046656-A Photochlorination process for methyl aromatic compounds THE DOW CHEMICAL COMPANY (US) 1977-09-06 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 (3 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-20150218086-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 TDP1 3140/4885ACHE 4472/4885MAOB 3904/4885
US-20150218085-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 TDP1 2642/4885ACHE 4080/4885MAOB 3943/4885
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 TDP1 650/4885ACHE 13/4885MAOB 208/4885

“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.