SCHEMBL433275

SCHEMBL433275

C=CC(N)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.56
SLC6A2 P23975 2/20 0.52
TAAR1 Q96RJ0 2/20 0.52
MAOA P21397 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
CYP2A6 P11509 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
ANPEP P15144 2/20 0.48
CYP2D6 P10635 1/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
LAP3 P28838 3/20 0.44
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42

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
SCHEMBL24931234 1.00 EPHX1 (0.56) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL2079265 1.00 EPHX1 (0.56) EPHX1SLC6A2TAAR1MAOASLC6A4
Hydrochloric Acid SCHEMBL3805711 0.98 EPHX1 (0.54) EPHX1SLC6A2TAAR1MAOASLC6A4
Hydrochloric Acid SCHEMBL3805714 0.98 EPHX1 (0.54) EPHX1SLC6A2TAAR1MAOASLC6A4
Water SCHEMBL3478299 0.98 EPHX1 (0.54) EPHX1SLC6A2TAAR1MAOASLC6A4
Phenethylamine SCHEMBL8068648 0.89 TAAR1 (0.57) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL20329452 0.88 TAAR1 (0.47) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL902538 0.81 EPHX1 (0.61) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL2736329 0.81 EPHX1 (0.61) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL7307677 0.81 EPHX1 (0.61) EPHX1SLC6A2TAAR1MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180359854-A1 POPULATION OF METAL OXIDE NANOSHEETS, PREPARATION METHOD THEREOF, AND ELECTRICAL CONDUCTOR AND ELECTRONIC DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-12-13 US claimed
EP-1189622-B1 ANIONIC POLYMERS AS TOXIN BINDERS AND ANTIBACTERIAL AGENTS GENZYME CORP (US) 2007-07-25 EP claimed
EP-1014999-B1 CATIONIC POLYMERS AS TOXIN-BINDING AGENTS GENZYME CORP (US) 2004-12-08 EP claimed
US-6046326-A REACTING ETHYLENE CARBONATE AND ISOCYANURIC ACID USING HETEROCYCLIC AMINE CATALYST ESSEX GROUP (US) 2000-04-04 US claimed
EP-0557046-B1 Polymeric film DU PONT (US) 1999-12-01 EP claimed
EP-0277894-B1 PROCESS FOR THE PREPARATION OF TRIALKOXYBENZALDEHYDE RHONE-POULENC CHIMIE (FR) 1992-01-29 EP claimed
US-4933498-A HYDROLYZING BROMO-HYDROXY-METHOXY BENZALDEHYDE, DIRECTLY ETHERIFYING WITH A LOWER ALKYL HALIDE RHONE-POULENC CHIMIE (FR) 1990-06-12 US claimed
EP-0277894-A2 Process for the preparation of trialkoxybenzaldehyde RHONE-POULENC CHIMIE (FR) 1988-08-10 EP claimed
US-4754089-A SEPARATION OF PHASE BY PERMEABLE MEMBRANE SEPRACOR INC. (US) 1988-06-28 US claimed
EP-0066103-B1 PROCESS FOR THE REDUCTION OF REDUCIBLE GROUPS, AND ITS APPLICATION Eckert, Heiner, dr. (DE) 1985-08-28 EP claimed
JP-62041234-A None JP disclosed
JP-7247246-A None JP disclosed
JP-62041235-A None JP disclosed
US-12016335-B2 Stabilized low-concentration metsulfuron-methyl liquid composition FMC CORPORATION (US) 2024-06-25 US disclosed
EP-4378928-A1 NAPHTHALENE DITHIOL AND DERIVATIVE THEREOF, AND PRODUCTION METHODS AND USES FOR SAME SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 2024-06-05 EP disclosed
JP-S6241235-A NOVEL ANION EXCHANGE MEMBRANE ASAHI CHEM IND CO LTD 1987-02-23 JP disclosed
JP-S6241234-A IMPROVE ANION-EXCHANGE MEMBRANE ASAHI CHEM IND CO LTD 1987-02-23 JP disclosed
US-4537713-A Process for the reduction of reducible groups and its use ECKERT HEINER (DE) 1985-08-27 US disclosed
US-4514304-A Method for purifying and concentrating organic matters TOYO SODA MANUFACTURING LTD. (JP) 1985-04-30 US disclosed
US-4348395-A 1,4-Dihydropyridazine compounds BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 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 (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-12016335-B2 Stabilized low-concentration metsulfuron-methyl liquid composition FABP4, FADS2, LIPC EPHX1 289/4885SLC6A2 4544/4885TAAR1 1770/4885

“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.