SCHEMBL657846

SCHEMBL657846

O=C(/C=C/c1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.82
CYP1B1 Q16678 4/20 0.69
CYP1A2 P05177 2/20 0.69
CYP1A1 P04798 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
MAPT P10636 2/20 0.68
PLIN1 O60240 1/20 0.68
LMNA P02545 1/20 0.68
BCHE P06276 1/20 0.68
TNFRSF1A P19438 1/20 0.68
ACHE P22303 1/20 0.68
RECQL P46063 1/20 0.68
PLIN5 Q00G26 1/20 0.68
ABHD5 Q8WTS1 1/20 0.68
MAOA P21397 3/20 0.60
PTPN1 P18031 1/20 0.60
HDAC4 P56524 2/20 0.59
HDAC1 Q13547 2/20 0.59
AR P10275 1/20 0.59

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
SCHEMBL657847 1.00 MAOB (0.82) MAOBCYP1B1CYP1A2CYP1A1CYP3A4
SCHEMBL16939629 0.92 MAOB (0.84) MAOBCYP1B1CYP1A2CYP1A1CYP3A4
SCHEMBL17492427 0.90 MAOB (0.73) MAOBCYP1B1CYP1A2CYP1A1CYP3A4
SCHEMBL11793559 0.90 MAOB (1.00) MAOBCYP1B1CYP1A2CYP1A1CYP3A4
SCHEMBL17492426 0.90 MAOB (0.73) MAOBCYP1B1CYP1A2CYP1A1CYP3A4
SCHEMBL658684 0.90 MAOB (1.00) MAOBCYP1B1CYP1A2CYP1A1CYP3A4
SCHEMBL658683 0.90 MAOB (1.00) MAOBCYP1B1CYP1A2CYP1A1CYP3A4
Tetrahydrothiophene SCHEMBL10497520 0.89 MAOB (0.66) MAOBCYP1B1CYP1A2CYP1A1CYP3A4
SCHEMBL13203405 0.88 CYP1B1 (0.81) MAOBCYP1B1CYP1A2CYP1A1CYP3A4
SCHEMBL9338000 0.86 MAOB (0.68) MAOBCYP1B1CYP1A2CYP1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115368268-B Method for efficiently preparing azo compound and application thereof 大连理工大学 2023-11-17 CN disclosed
CN-116969868-A Synthesis method of allyl sulfonyl compound 南通大学 2023-10-31 CN disclosed
CN-116284114-A Method for synthesizing chiral 1, 3-phosphine alcohol 陕西师范大学 2023-06-23 CN disclosed
CN-115368268-A Method for efficiently preparing azo compound and application thereof 大连理工大学 2022-11-22 CN disclosed
CN-113461501-A Green method for high-selectivity synthesis of chalcone compounds 温州大学 2021-10-01 CN disclosed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-9085520-B2 Composition for treating diabetes and metabolic diseases and a preparation method thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2015-07-21 US disclosed
US-9085520-B2 Composition for treating diabetes and metabolic diseases and a preparation method thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2015-07-21 US disclosed
US-9085520-B2 Composition for treating diabetes and metabolic diseases and a preparation method thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2015-07-21 US disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20140350304-A1 COMPOSITION FOR TREATING DIABETES AND METABOLIC DISEASES AND A PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-11-27 US disclosed
US-20140350304-A1 COMPOSITION FOR TREATING DIABETES AND METABOLIC DISEASES AND A PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-11-27 US disclosed
US-20140350304-A1 COMPOSITION FOR TREATING DIABETES AND METABOLIC DISEASES AND A PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-11-27 US disclosed
WO-2013022951-A1 COMPOSITION FOR TREATING DIABETES AND METABOLIC DISEASES AND A PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-02-14 WO disclosed
WO-2013022951-A1 COMPOSITION FOR TREATING DIABETES AND METABOLIC DISEASES AND A PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-02-14 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-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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 (2 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB MAOB 4512/4885CYP1B1 4714/4885CYP1A2 4611/4885
US-20140350304-A1 COMPOSITION FOR TREATING DIABETES AND METABOLIC DISEASES AND A PREPARATION METHOD THEREOF FABP1, GYS2, CYP7B1 MAOB 3332/4885CYP1B1 174/4885CYP1A2 107/4885

“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.