SCHEMBL616200

SCHEMBL616200

COc1ccc2c([Cu])cccc2c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2A6 P11509 1/20 0.55
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
ACHE P22303 3/20 0.45
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
RELA Q04206 1/20 0.42
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
IDH1 O75874 1/20 0.41

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
SCHEMBL30277953 0.81 CYP1A2 (0.55) CYP1A2CYP2A6MTNR1AMTNR1BCYP2D6
SCHEMBL774076 0.81 CYP1A2 (0.55) CYP1A2CYP2A6MTNR1AMTNR1BCYP2D6
SCHEMBL443271 0.78 CYP1A2 (0.57) CYP1A2CYP2A6MTNR1AMTNR1BACHE
SCHEMBL5510892 0.78 CYP1A2 (0.59) CYP1A2CYP2A6MTNR1AMTNR1BACHE
SCHEMBL29869216 0.78 CYP1A2 (0.57) CYP1A2CYP2A6MTNR1AMTNR1BACHE
SCHEMBL7514393 0.77 CYP1A2 (0.55) CYP1A2CYP2A6MTNR1AMTNR1BACHE
SCHEMBL1806697 0.77 CYP1A2 (0.55) CYP1A2CYP2A6MTNR1AMTNR1BACHE
SCHEMBL1806698 0.77 CYP1A2 (0.55) CYP1A2CYP2A6MTNR1AMTNR1BACHE
SCHEMBL9709432 0.77 CYP1A2 (0.55) CYP1A2CYP2A6MTNR1AMTNR1BACHE
SCHEMBL8749346 0.77 CYP1A2 (0.55) CYP1A2CYP2A6MTNR1AMTNR1BACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981152-B2 Microwave induced single step green synthesis of some novel 2-aryl aldehydes and their analogues COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-03-17 US disclosed
US-20140197024-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-07-17 US disclosed
US-8779200-B2 Microwave induced single step green synthesis of some novel 2-aryl aldehydes and their analogues COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-07-15 US disclosed
US-20120041234-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETIES ACT (ACT XXI OF 1860)) (IN) 2012-02-16 US disclosed
WO-2010097811-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 WO disclosed
US-4144397-A Preparation of 2-aryl-propionic acids by direct coupling utilizing a mixed magnesium halide complex SYNTEX CORPORATION (US) 1979-03-13 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 (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-20140197024-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES WFS1, EPHX2, MANBA CYP1A2 155/4885CYP2A6 320/4885MTNR1A 3570/4885
US-20120041234-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES AADAC, NAT1, CTRB1 CYP1A2 291/4885CYP2A6 97/4885MTNR1A 114/4885

“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.