SCHEMBL4650877

SCHEMBL4650877

SC(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
ANPEP P15144 1/20 0.52
TAAR1 Q96RJ0 4/20 0.50
SLC6A2 P23975 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
MAOA P21397 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
CYP1A2 P05177 1/20 0.48
IDO1 P14902 1/20 0.48
ACE P12821 1/20 0.47
CPA3 P15088 1/20 0.46
FOLH1 Q04609 1/20 0.46
SLC18A2 Q05940 1/20 0.46
CYP2D6 P10635 1/20 0.46
CALM1 P0DP23 1/20 0.45

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
Bromide SCHEMBL1046181 0.97 EPHX1 (0.52) EPHX1ANPEPTAAR1SLC6A2SIGMAR1
SCHEMBL7477751 0.85 EPHX1 (0.46) EPHX1ANPEPTAAR1SLC6A2SIGMAR1
SCHEMBL28505261 0.85 EPHX1 (0.46) EPHX1ANPEPTAAR1SLC6A2SIGMAR1
SCHEMBL6720552 0.85 ACE (0.54) EPHX1ANPEPTAAR1SLC6A2SIGMAR1
SCHEMBL11188256 0.85 EPHX1 (0.52) EPHX1ANPEPTAAR1SLC6A2SIGMAR1
SCHEMBL9122735 0.85 TRPA1 (0.54) EPHX1ANPEPTAAR1SLC6A2SIGMAR1
Bromide SCHEMBL11187003 0.83 EPHX1 (0.50) EPHX1ANPEPTAAR1SLC6A2SIGMAR1
SCHEMBL8711135 0.82 EPHX1 (0.55) EPHX1ANPEPTAAR1SLC6A2SIGMAR1
SCHEMBL4133548 0.81 EPHX1 (0.48) EPHX1ANPEPTAAR1SLC6A2SIGMAR1
SCHEMBL10963242 0.81 ACE (0.47) EPHX1TAAR1SLC6A2SIGMAR1MAOA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973974-B1 A PROCESS FOR PREPARING 'ONIUM SALTS SUN CHEMICAL CORP (US) 2014-04-30 EP claimed
US-7863459-B2 Process for preparing onium salts SUN CHEMICAL CORPORATION (US) 2011-01-04 US claimed
US-20080287686-A1 Process for Preparing Onium Salts SUN CHEMICAL CORP (US) 2008-11-20 US claimed
EP-1973974-A2 A PROCESS FOR PREPARING 'ONIUM SALTS Sun Chemical Corporation (US) 2008-10-01 EP claimed
WO-2007075498-A2 A PROCESS FOR PREPARING 'ONIUM SALTS SUN CHEMICAL CORPORATION (US) 2007-07-05 WO claimed
US-4110234-A PHENYLATED NAPHTHYLAMINE, SULFUR COMPOUND, METAL UNIROYAL, INC. (US) 1978-08-29 US claimed
US-4110234-A PHENYLATED NAPHTHYLAMINE, SULFUR COMPOUND, METAL UNIROYAL, INC. (US) 1978-08-29 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-20080287686-A1 Process for Preparing Onium Salts IK, NOTUM, NOS2 EPHX1 4268/4885ANPEP 2233/4885TAAR1 2759/4885

“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.