SCHEMBL4403316

SCHEMBL4403316

O=Cc1ccc2c3c(cccc13)C=C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
PABPC1 P11940 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
IDO1 P14902 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2A6 P11509 3/20 0.34
IMPDH2 P12268 2/20 0.34
TRIM24 O15164 2/20 0.34
TRIM33 Q9UPN9 2/20 0.34

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
SCHEMBL5380847 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL6585346 0.78 KMT2A (0.52) KMT2AMEN1LMNAKDM4EPABPC1
SCHEMBL982388 0.71 KMT2A (0.61) KMT2AMEN1LMNAKDM4EPABPC1
SCHEMBL4245330 0.71 MEN1 (0.61) KMT2AMEN1LMNAKDM4EPABPC1
SCHEMBL29786760 0.71 KMT2A (0.61) KMT2AMEN1LMNAKDM4EPABPC1
SCHEMBL5371344 0.71
SCHEMBL9700287 0.71 KMT2A (0.48) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL2459975 0.71 MEN1 (0.46) KMT2AMEN1LMNAKDM4EPABPC1
SCHEMBL4199579 0.71 PABPC1 (0.55) KMT2AMEN1LMNAKDM4EPABPC1
SCHEMBL1251795 0.71 MEN1 (0.50) KMT2AMEN1LMNAKDM4EPABPC1

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-20170240521-A1 PERIPHERALLY-ACTING CANNABINOID RECEPTOR AGONISTS FOR CHRONIC PAIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-24 US disclosed
US-9656981-B2 Peripherally-acting cannabinoid receptor agonists for chronic pain THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-05-23 US disclosed
US-20150239859-A1 PERIPHERALLY-ACTING CANNABINOID RECEPTOR AGONISTS FOR CHRONIC PAIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-08-27 US disclosed
US-8877422-B2 Resist underlayer film composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-04 US disclosed
US-8877422-B2 Resist underlayer film composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-04 US disclosed
US-20120108071-A1 RESIST UNDERLAYER FILM COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed
US-20120108071-A1 RESIST UNDERLAYER FILM COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed
EP-2447775-A1 Resist underlayer film composition and patterning process using the same Shin-Etsu Chemical Co., Ltd. (JP) 2012-05-02 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-20150239859-A1 PERIPHERALLY-ACTING CANNABINOID RECEPTOR AGONISTS FOR CHRONIC PAIN CNR2, CNR1, OPRL1 KMT2A 4034/4885MEN1 4854/4885LMNA 3829/4885
US-20170240521-A1 PERIPHERALLY-ACTING CANNABINOID RECEPTOR AGONISTS FOR CHRONIC PAIN CNR2, CNR1, OPRL1 KMT2A 4034/4885MEN1 4854/4885LMNA 3829/4885

“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.