SCHEMBL7586949

SCHEMBL7586949

Ic1ccc(-c2ccc(-c3ccc(-c4ccccc4)s3)s2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.50
HSD17B2 P37059 3/20 0.50
NQO2 P16083 3/20 0.46
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 3/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.41
APP P05067 3/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7590473 0.96 RAB9A (0.48) HSD17B1HSD17B2NQO2CYP2E1CYP3A4
SCHEMBL6228211 0.95 HSD17B1 (0.48) HSD17B1HSD17B2NQO2CYP2E1CYP3A4
SCHEMBL7587868 0.85 HSD17B1 (0.62) HSD17B1HSD17B2NQO2CYP2E1CYP3A4
SCHEMBL2240182 0.85 HSD17B1 (0.62) HSD17B1HSD17B2NQO2CYP2E1CYP3A4
SCHEMBL2241368 0.85 HSD17B1 (0.62) HSD17B1HSD17B2NQO2CYP2E1CYP3A4
SCHEMBL7591649 0.85 HSD17B1 (0.62) HSD17B1HSD17B2NQO2CYP2E1CYP3A4
SCHEMBL2242666 0.85 HSD17B1 (0.62) HSD17B1HSD17B2NQO2CYP2E1CYP3A4
SCHEMBL498650 0.83 HSD17B1 (0.65) HSD17B1HSD17B2NQO2CYP2E1CYP3A4
SCHEMBL498510 0.83 APP (0.33) RAB9AAPPESR1ESR2NPC1
SCHEMBL21156754 0.83 APP (0.33) RAB9AAPPESR1ESR2NPC1

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-20020114973-A1 Molecular compound, luminous material using the same, and luminous element JAPAN CHEMICAL INNOVATION INSTITUTE (JP) 2002-08-22 US disclosed
US-6355365-B1 FOR USE IN ORGANIC ELECTRO LUMINESCENCE (EL) DEVICE; EFFICIENCY JAPAN CHEMICAL INNOVATION INSTITUTE (JP) 2002-03-12 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-20020114973-A1 Molecular compound, luminous material using the same, and luminous element TYR, BRD4, NOTCH1 HSD17B1 4487/4885HSD17B2 4425/4885NQO2 1808/4885

“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.