SCHEMBL13017648

SCHEMBL13017648

Ic1c(-c2cccc(-c3ccc4ccccc4c3)c2)c2ccccc2c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.47
HSD17B2 P37059 3/20 0.47
ESR1 P03372 5/20 0.42
ESR2 Q92731 5/20 0.42
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALOX5 P09917 1/20 0.41
GSTP1 P09211 1/20 0.38
CNR1 P21554 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2B6 P20813 2/20 0.37
CYP2C19 P33261 2/20 0.37
SIRT2 Q8IXJ6 2/20 0.37
PDE9A O76083 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL13017640 0.91 HSD17B1 (0.42) HSD17B1HSD17B2ESR1ESR2CYP17A1
SCHEMBL13017646 0.90 ESR1 (0.48) HSD17B1HSD17B2ESR1ESR2CYP17A1
SCHEMBL29884153 0.86 HSD17B1 (0.57) HSD17B1HSD17B2ESR1ESR2CYP17A1
SCHEMBL22127106 0.86 HSD17B1 (0.57) HSD17B1HSD17B2ESR1ESR2CYP17A1
SCHEMBL13016362 0.85 ESR1 (0.43) HSD17B1HSD17B2ESR1ESR2CYP17A1
SCHEMBL12983197 0.84 ESR1 (0.44) HSD17B1HSD17B2ESR1ESR2CYP17A1
SCHEMBL13017628 0.84 ESR1 (0.44) HSD17B1HSD17B2ESR1ESR2CYP17A1
SCHEMBL18904924 0.83 HSD17B1 (0.47) HSD17B1HSD17B2ESR1ESR2CYP17A1
SCHEMBL24618933 0.82 HSD17B1 (0.53) HSD17B1HSD17B2ESR1ESR2CYP17A1
SCHEMBL22708077 0.82 HSD17B1 (0.53) HSD17B1HSD17B2ESR1ESR2CYP17A1

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-20100331585-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331585-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 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-20100331585-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT NR2E1, AR, ELP1 HSD17B1 639/4885HSD17B2 878/4885ESR1 25/4885

“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.