SCHEMBL20090214

SCHEMBL20090214

O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(O)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 10/20 0.63
HSD17B2 P37059 9/20 0.63
CYP3A4 P08684 3/20 0.63
CYP2C9 P11712 3/20 0.63
ESR1 P03372 6/20 0.48
ESR2 Q92731 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2B6 P20813 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ABL1 P00519 1/20 0.46
ABCB1 P08183 1/20 0.46
BCR P11274 1/20 0.46
MMP3 P08254 1/20 0.45
BCL2L1 Q07817 1/20 0.45
HPGDS O60760 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
SCHEMBL17451971 0.86 LMNA (0.47) ESR1MEN1KMT2A
SCHEMBL19444838 0.84 HDAC8 (0.46) MEN1KMT2A
SCHEMBL30468853 0.84 ESR1 (0.47) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL14993533 0.84 ESR1 (0.47) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL18780695 0.84 KMO (0.48) ESR1MEN1KMT2A
SCHEMBL9927317 0.84 KMO (0.48) ESR1MEN1KMT2A
SCHEMBL2682114 0.84 HSD17B1 (0.90) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL29832647 0.84 HSD17B1 (0.90) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL14993693 0.82 ESR1 (0.45) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL29516955 0.82 ESR1 (0.65) ESR1ESR2MEN1KMT2AMMP3

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
EP-3266780-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-19 EP disclosed
US-10355225-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2019-07-16 US disclosed
US-20180114923-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-04-26 US disclosed
US-20180114923-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-04-26 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-20180114923-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 HSD17B1 3076/4885HSD17B2 2174/4885CYP3A4 106/4885
US-10355225-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, PER2 HSD17B1 3076/4885HSD17B2 2174/4885CYP3A4 106/4885

“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.