SCHEMBL19764801

SCHEMBL19764801

c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6ccccc6c5c4-c4ccccc4)c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CDC14B O60729 2/20 0.38
CDC14A Q9UNH5 2/20 0.38
WEE1 P30291 1/20 0.37
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 3/20 0.36
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GLA P06280 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PGAM1 P18669 1/20 0.36
MAOA P21397 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CA12 O43570 2/20 0.36

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
SCHEMBL19764815 0.97 CA1 (0.39) CA1CA2CDC14BCDC14AWEE1
SCHEMBL18382782 0.97 CA1 (0.39) CA1CA2CDC14BCDC14AWEE1
SCHEMBL19764800 0.94 CA1 (0.37) CA1CA2CDC14BCDC14AWEE1
SCHEMBL26491392 0.93 CA1 (0.42) CA1CA2CDC14BCDC14AWEE1
SCHEMBL19764783 0.92 NPC1 (0.40) CA1CA2CDC14BCDC14AWEE1
SCHEMBL19764802 0.92 PLA2G2A (0.39) CA1CA2CDC14BCDC14AWEE1
SCHEMBL19764823 0.90 CA1 (0.41) CA1CA2CDC14BCDC14AWEE1
SCHEMBL26491405 0.90 CA1 (0.41) CA1CA2CDC14BCDC14AWEE1
SCHEMBL19764775 0.90 CDC14B (0.41) CA1CA2CDC14BCDC14AWEE1
SCHEMBL18382789 0.90 WEE1 (0.38) CA1CA2CDC14BCDC14AWEE1

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-20180009776-A1 Novel organic compounds for organic light-emitting diode and organic light-emitting diode including the same SFC CO., LTD. (KR) 2018-01-11 US disclosed
US-20180013071-A1 ORGANIC LIGHT-EMITTING DIODE HAVING LOW DRIVING VOLTAGE AND LONG LIFESPAN SFC CO., LTD. (KR) 2018-01-11 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-20180009776-A1 Novel organic compounds for organic light-emitting diode and organic light-emitting diode including the same OR51E2, OR10J3, PPOX CA1 3926/4885CA2 2915/4885CDC14B 1301/4885
US-20180013071-A1 ORGANIC LIGHT-EMITTING DIODE HAVING LOW DRIVING VOLTAGE AND LONG LIFESPAN CYBA, CRY2, DRD4 CA1 4220/4885CA2 3251/4885CDC14B 716/4885

“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.