SCHEMBL19009879

SCHEMBL19009879

O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3c4ccccc4c4ccccc4c3c3c2ccc2ccccc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.33
ACP3 P15309 1/20 0.32
TYMS P04818 1/20 0.31
TOP1 P11387 1/20 0.31
DHODH Q02127 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL19009858 0.89 CYP1A1 (0.35) HPRT1ACP3TOP1ALDH1A1CYP1A2
SCHEMBL17403773 0.87 HPRT1 (0.36) HPRT1ACP3TOP1DHODHALDH1A1
SCHEMBL17915298 0.86 TYMS (0.36) TYMSTOP1DHODHALDH1A1HPGD
SCHEMBL17915405 0.86 TYMS (0.36) TYMSTOP1DHODHALDH1A1HPGD
SCHEMBL19009841 0.84 TOP1 (0.39) TYMSTOP1DHODHALDH1A1HPGD
SCHEMBL19009831 0.83 TOP1 (0.36) TYMSTOP1DHODHALDH1A1HPGD
SCHEMBL18200622 0.83 DHODH (0.40) DHODHALDH1A1LMNA
SCHEMBL17034894 0.83 DHODH (0.40) DHODHALDH1A1LMNA
SCHEMBL18200623 0.83 DHODH (0.40) DHODHALDH1A1LMNA
SCHEMBL19009820 0.82 NPSR1 (0.32) HPRT1TYMSALDH1A1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 HPRT1 253/4885ACP3 4042/4885TYMS 1197/4885

“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.