SCHEMBL657312

SCHEMBL657312

O=C(C=Cc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.81
CYP1B1 Q16678 4/20 0.81
CXCL12 P48061 2/20 0.69
MAOA P21397 4/20 0.67
MAPT P10636 2/20 0.61
PLIN1 O60240 1/20 0.61
LMNA P02545 1/20 0.61
BCHE P06276 1/20 0.61
TNFRSF1A P19438 1/20 0.61
ACHE P22303 1/20 0.61
RECQL P46063 1/20 0.61
PLIN5 Q00G26 1/20 0.61
ABHD5 Q8WTS1 1/20 0.61
CYP1A1 P04798 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 2/20 0.58
HSPD1 P10809 2/20 0.58
HSPE1 P61604 2/20 0.58
KMT2A Q03164 2/20 0.58
RELA Q04206 2/20 0.58

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
SCHEMBL2664997 1.00 MAOB (0.81) MAOBCYP1B1CXCL12MAOAMAPT
SCHEMBL657311 1.00 MAOB (0.81) MAOBCYP1B1CXCL12MAOAMAPT
SCHEMBL2648476 1.00 MAOB (0.81) MAOBCYP1B1CXCL12MAOAMAPT
Hydrochloric Acid SCHEMBL11820893 0.98 MAOB (0.79) MAOBCYP1B1CXCL12MAOAMAPT
Hydrochloric Acid SCHEMBL11820886 0.98 MAOB (0.79) MAOBCYP1B1CXCL12MAOAMAPT
Bromide SCHEMBL11821122 0.98 MAOB (0.79) MAOBCYP1B1CXCL12MAOAMAPT
Bromide SCHEMBL11821117 0.98 MAOB (0.79) MAOBCYP1B1CXCL12MAOAMAPT
Bromide SCHEMBL11818763 0.98 MAOB (0.79) MAOBCYP1B1CXCL12MAOAMAPT
Bromide SCHEMBL11818757 0.98 MAOB (0.79) MAOBCYP1B1CXCL12MAOAMAPT
SCHEMBL976912 0.92 CYP1B1 (0.71) MAOBCYP1B1MAOAMAPTPLIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2016-01-21 US disclosed
EP-2970347-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS Dublin City University (IE) 2016-01-20 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
WO-2014140353-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2014-09-18 WO disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-1463715-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-10-06 EP disclosed
US-6762318-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIZED SECONDARY AMIDES; ORAL ADMINISTRATION NOVO NORDISK A/S (DK) 2004-07-13 US disclosed
US-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents PFIZER INC 2003-12-25 US disclosed
WO-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 WO disclosed
US-3931152-A ANTITUBERCULAR AMERICAN CYANAMID COMPANY (US) 1976-01-06 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-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DCXR, TECR, PWWP2B MAOB 242/4885CYP1B1 3360/4885CXCL12 4857/4885
US-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents GPR119, GLP1R, GIPR MAOB 3317/4885CYP1B1 3336/4885CXCL12 945/4885
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB MAOB 4512/4885CYP1B1 4714/4885CXCL12 3504/4885

“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.