SCHEMBL614836

SCHEMBL614836

CCC(CC=O)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
ACP3 P15309 2/20 0.41
SLC6A4 P31645 1/20 0.39
AOC3 Q16853 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
EPHX2 P34913 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL2126034 0.84 ALDH1A1 (0.54) CYP2C9CYP2C19ALDH1A1CYP1A2ACP3
SCHEMBL9403711 0.83 ALDH1A1 (0.43) CYP2C9CYP2C19ALDH1A1CYP1A2ACP3
SCHEMBL7386557 0.83 ALDH1A1 (0.43) CYP2C9CYP2C19ALDH1A1CYP1A2ACP3
SCHEMBL3443300 0.81 CYP2C9 (0.47) CYP2C9CYP2C19ALDH1A1CYP1A2ACP3
SCHEMBL9572843 0.80 CYP2C9 (0.40) CYP2C9CYP2C19ALDH1A1CYP1A2ACP3
SCHEMBL7678226 0.79 ALDH1A1 (0.46) CYP2C9CYP2C19ALDH1A1CYP1A2ACP3
SCHEMBL28300884 0.79 ALDH1A1 (0.46) CYP2C9CYP2C19ALDH1A1CYP1A2ACP3
SCHEMBL27746041 0.78 CNR1 (0.41) CYP2C9CYP2C19ALDH1A1CYP1A2ACP3
SCHEMBL27746038 0.78 CNR1 (0.41) CYP2C9CYP2C19ALDH1A1CYP1A2ACP3
SCHEMBL7383916 0.78 CYP2C9 (0.44) CYP2C9CYP2C19ALDH1A1CYP1A2ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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
CN-102471384-A Cellulose derivative, resin composition, molded body, method for producing molded body, and housing for electric and electronic devices FUJIFILM CORP 2012-05-23 CN 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

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 CYP2C9 1648/4885CYP2C19 1887/4885ALDH1A1 36/4885
US-20120041234-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES AADAC, NAT1, CTRB1 CYP2C9 642/4885CYP2C19 747/4885ALDH1A1 2216/4885

“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.