SCHEMBL18200769

SCHEMBL18200769

O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(-c3cc4c(-c5ccc6ccccc6c5)nc5ccccc5c4c4ccccc34)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.34
ADORA1 P30542 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 2/20 0.33
DHODH Q02127 2/20 0.33
GSTP1 P09211 1/20 0.33
TOP1 P11387 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
HTR2B P41595 1/20 0.32
HTR5A P47898 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
ADORA2B P29275 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
ACACA Q13085 1/20 0.32

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
SCHEMBL18346972 0.97 TOP1 (0.36) ADORA2AADORA1ALDH1A1MAPTCYP2C9
SCHEMBL18346971 0.97 ADORA2A (0.36) ADORA2AADORA1ALDH1A1MAPTCYP2C9
SCHEMBL17034980 0.95 DHODH (0.36) ADORA2AADORA1ALDH1A1DHODHTOP1
SCHEMBL18200991 0.90 DHODH (0.36) ADORA2AADORA1CYP2C9DHODHGSTP1
SCHEMBL17034978 0.90 DHODH (0.38) ADORA2AADORA1ALDH1A1DHODHTOP1
SCHEMBL17034970 0.89 DHODH (0.37) ADORA2AALDH1A1MAPTDHODHTOP1
SCHEMBL18201314 0.88 TOP1 (0.35) ADORA2ADHODHTOP1ACACA
SCHEMBL18201313 0.86 PDGFRB (0.41)
SCHEMBL18200996 0.85 MEN1 (0.42) ADORA2AADORA1ALDH1A1GSTP1HTR2B
SCHEMBL18200936 0.84 MEN1 (0.41) ADORA2AADORA1ALDH1A1CYP2C9HTR2B

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 4 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
EP-3088392-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2016-11-02 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 (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 ADORA2A 2482/4885ADORA1 3002/4885ALDH1A1 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.