SCHEMBL13826481

SCHEMBL13826481

ON1c2ccccc2CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HSD17B3 P37058 1/20 0.48
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
RAB9A P51151 1/20 0.48
SIGMAR1 Q99720 2/20 0.48
AADAT Q8N5Z0 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GOT1 P17174 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KYAT1 Q16773 1/20 0.47
KYAT3 Q6YP21 1/20 0.47
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
CDK4 P11802 1/20 0.46
ALOX15 P16050 1/20 0.46
CCND1 P24385 1/20 0.46
POLB P06746 1/20 0.46
NOTUM Q6P988 1/20 0.45

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
SCHEMBL2142614 0.84 POLB (0.56) MEN1KMT2AHSD17B3NPC1MITF
SCHEMBL30452996 0.84 POLB (0.56) MEN1KMT2AHSD17B3NPC1MITF
SCHEMBL7757572 0.84 AADAT (0.47) MEN1KMT2ARAB9ASIGMAR1AADAT
SCHEMBL21082763 0.76 TLR9 (0.43) NPC1RAB9AAADATSMN1; SMN2GOT1
SCHEMBL1408362 0.75 SIGMAR1 (0.55) MEN1KMT2ANPC1RAB9ASIGMAR1
SCHEMBL29577468 0.75 SIGMAR1 (0.55) MEN1KMT2ANPC1RAB9ASIGMAR1
SCHEMBL11677341 0.74 HTR2A (0.50) MEN1KMT2AHSD17B3NPC1MITF
SCHEMBL12959710 0.74 MEN1 (0.46) MEN1KMT2AHSD17B3NPC1MITF
SCHEMBL19732131 0.74 MEN1 (0.46) MEN1KMT2AHSD17B3NPC1MITF
SCHEMBL2604390 0.74 MAOA (0.52) MEN1KMT2AHSD17B3NPC1MITF

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-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS THE SCRIPPS RESEARCH INSTITUTE 2020-10-08 US disclosed
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-24 US disclosed
WO-2017011531-A2 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-19 WO disclosed
WO-2015175678-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-11-19 WO disclosed
US-20120289884-A1 Fused Ring Diarylamino Photosensitizers for Phototherapy MALLINCKRODT LLC (US) 2012-11-15 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-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS ALDH1A2, DDT, CLTB MEN1 2493/4885KMT2A 2223/4885HSD17B3 2447/4885
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS CYBA, DDT, DRD1 MEN1 2440/4885KMT2A 1916/4885HSD17B3 2429/4885

“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.