SCHEMBL18308809

SCHEMBL18308809

Cc1cc(-c2cccc(-c3cc(CP)cc(CP)c3)c2)ccc1CP

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ RXRA P19793 2/20 0.35
▸ RXRB P28702 2/20 0.35
▸ ESR2 Q92731 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ ABL1 P00519 2/20 0.33
▸ ABCB1 P08183 2/20 0.33
▸ BCR P11274 2/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2E1 P05181 1/20 0.32
▸ CYP2C8 P10632 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP4B1 P13584 1/20 0.32
▸ CYP2B6 P20813 1/20 0.32
▸ CYP3A5 P20815 1/20 0.32

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
SCHEMBL18308812 0.90 RXRA (0.35) RXRARXRBRXRGCYP3A4ALDH1A1
SCHEMBL18806018 0.85 HSD17B1 (0.34) HSD17B1HSD17B2ESR2ABL1ABCB1
SCHEMBL18308808 0.84 HSD17B1 (0.38) HSD17B1HSD17B2RXRARXRBESR2
SCHEMBL12635517 0.81 AGXT (0.41) ABL1ABCB1BCRCYP3A4CYP1A1
SCHEMBL20248284 0.81 ALDH1A1 (0.44) HSD17B1HSD17B2RXRARXRBESR2
SCHEMBL18308775 0.81 HSD17B1 (0.40) HSD17B1HSD17B2RXRARXRBESR2
SCHEMBL26032094 0.80 ALDH1A1 (0.37) HSD17B1HSD17B2RXRARXRBRXRG
SCHEMBL18308717 0.80 MEN1 (0.41) HSD17B1HSD17B2ABL1ABCB1BCR
SCHEMBL18308805 0.78 HTR7 (0.41) ESR2CYP3A4CYP1A1CYP1A2CYP2E1
SCHEMBL18806021 0.77 MEN1 (0.39) HSD17B1HSD17B2ABL1ABCB1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2016-12-15 — — 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-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 HSD17B1 4390/4885HSD17B2 4365/4885RXRA 2009/4885

“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.

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