SCHEMBL461067

SCHEMBL461067

C=CCNc1cccc2c1ccc1c3ccccc3ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
HPRT1 P00492 1/20 0.47
ALOX12 P18054 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 10/20 0.45
CA12 O43570 2/20 0.45
CA4 P22748 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
HSD17B10 Q99714 4/20 0.44
TSHR P16473 3/20 0.44
RECQL P46063 1/20 0.44
HPGD P15428 5/20 0.41
KDM4E B2RXH2 5/20 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
SCHEMBL31497264 0.90 KMT2A (0.59) KMT2AMEN1ALOX12TDP1ALDH1A1
SCHEMBL896623 0.90 KMT2A (0.59) KMT2AMEN1ALOX12TDP1ALDH1A1
SCHEMBL9157046 0.86 KMT2A (0.45) KMT2AMEN1ALOX12TDP1ALDH1A1
SCHEMBL28058086 0.78 ALDH1A1 (0.46) KMT2AMEN1ALOX12TDP1ALDH1A1
SCHEMBL27531775 0.77 IDO1 (0.53) KMT2AMEN1HPRT1TDP1ALDH1A1
Styrene SCHEMBL10623935 0.76 IDO1 (0.42) KMT2AMEN1HPRT1ALDH1A1CA12
SCHEMBL9158033 0.76 ALDH1A1 (0.46) KMT2AMEN1ALOX12TDP1ALDH1A1
SCHEMBL7864943 0.76 IDO1 (0.47) KMT2AMEN1ALDH1A1CA12CA9
SCHEMBL4784858 0.75 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1CA12CA9
Hydrochloric Acid SCHEMBL7926386 0.75 IDO1 (0.46) KMT2AMEN1ALDH1A1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9642854-B2 Flavanoid compounds and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-05-09 US disclosed
US-20150174135-A1 FLAVANOID COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2015-06-25 US disclosed
US-8969384-B2 Flavonoid compounds and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-03-03 US disclosed
US-20120022062-A1 Flavanoid Compounds and Process for Preparation Thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-01-26 US disclosed
WO-2010097816-A1 FLAVANOID COMPOUNDS AND PROCESS FOR PREPARATION THEREOF 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-20150174135-A1 FLAVANOID COMPOUNDS AND PROCESS FOR PREPARATION THEREOF F2, FOXM1, HRH2 KMT2A 1928/4885MEN1 3131/4885HPRT1 461/4885
US-20120022062-A1 Flavanoid Compounds and Process for Preparation Thereof F2, FOXM1, HRH2 KMT2A 1928/4885MEN1 3131/4885HPRT1 461/4885

“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.