SCHEMBL4186277

SCHEMBL4186277

C1=CC2Oc3c(-c4cccc(-c5c6ccccc6c(-c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc56)c4)cccc3C2C=C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
GSTP1 P09211 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL10082723 0.98 HSD17B1 (0.35) HSD17B1HSD17B2GPR84HDAC4HDAC2
SCHEMBL179122 0.97 GPR84 (0.36) HSD17B1HSD17B2GPR84HDAC4HDAC2
SCHEMBL12640765 0.95 GPR84 (0.34) HSD17B1HSD17B2GPR84HDAC4HDAC2
SCHEMBL10358175 0.94 GPR84 (0.34) HSD17B1HSD17B2GPR84HDAC4HDAC2
SCHEMBL12640705 0.91 GPR84 (0.31) HSD17B1HSD17B2GPR84
SCHEMBL12640760 0.91 EDNRB (0.32) GPR84HDAC4HDAC2HDAC8
SCHEMBL20365304 0.90 GPR84 (0.34) HSD17B1HSD17B2GPR84HDAC4HDAC2
SCHEMBL179247 0.89 EDNRB (0.35) HDAC8
SCHEMBL10358943 0.89
SCHEMBL179248 0.88 EDNRB (0.34) GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120181922-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 US disclosed
US-20120112169-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 US disclosed
US-20120056165-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-03-08 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-20120112169-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AR, H1-4, AFF4 HSD17B1 2851/4885HSD17B2 2535/4885GPR84 1463/4885

“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.