SCHEMBL18346972

SCHEMBL18346972

O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc(-c3cc4c(-c5ccc6ccccc6c5)nc5ccccc5c4c4ccccc34)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.36
ACACA Q13085 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
DHODH Q02127 2/20 0.34
CYP2C9 P11712 2/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 1/20 0.33
LTB4R Q15722 3/20 0.33
HTR2B P41595 1/20 0.33
HTR5A P47898 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33

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
SCHEMBL18200769 0.97 ADORA2A (0.34) TOP1ACACAALDH1A1MAPTDHODH
SCHEMBL18346971 0.94 ADORA2A (0.36) TOP1ACACAALDH1A1MAPTDHODH
SCHEMBL17034980 0.93 DHODH (0.36) TOP1ACACAALDH1A1DHODHADORA2A
SCHEMBL18200991 0.93 DHODH (0.36) TOP1ACACADHODHCYP2C9ADORA2A
SCHEMBL17034978 0.89 DHODH (0.38) TOP1ACACAALDH1A1DHODHADORA2A
SCHEMBL17034970 0.87 DHODH (0.37) TOP1ALDH1A1MAPTDHODHADORA2A
SCHEMBL18201313 0.87 PDGFRB (0.41)
SCHEMBL18201314 0.87 TOP1 (0.35) TOP1ACACADHODHADORA2ALTB4R
SCHEMBL17034974 0.86 DHODH (0.41) TOP1ACACADHODHADORA2ALTB4R
SCHEMBL17034887 0.86 DHODH (0.41) TOP1ACACADHODHADORA2ALTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 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 (1 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 TOP1 3101/4885ACACA 2979/4885ALDH1A1 85/4885

“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.