SCHEMBL18806018

SCHEMBL18806018

Cc1cc(-c2cccc(-c3cc(CP)cc(CP)c3)c2)ccc1P

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ ESR2 Q92731 1/20 0.33
▸ ABL1 P00519 2/20 0.32
▸ ABCB1 P08183 2/20 0.32
▸ BCR P11274 2/20 0.32
▸ 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
▸ CYP2A7 P20853 1/20 0.32
▸ CYP3A7 P24462 1/20 0.32
▸ CYP2F1 P24903 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
SCHEMBL18308746 0.93 ALDH1A1 (0.34) CYP3A4ALDH1A1TSHRTDP1
SCHEMBL18308772 0.91 ALDH1A1 (0.33) HSD17B1HSD17B2CYP3A4ALDH1A1TSHR
SCHEMBL18308777 0.88 HSD17B1 (0.39) HSD17B1HSD17B2ESR2ABL1ABCB1
SCHEMBL18308774 0.85 ESR1 (0.33) ESR2HTR7ESR1
SCHEMBL18308809 0.85 HSD17B1 (0.35) HSD17B1HSD17B2ESR2ABL1ABCB1
SCHEMBL18308766 0.83 ESR1 (0.31) ESR2CYP3A4ALDH1A1TSHRTDP1
SCHEMBL18308797 0.83 HTR7 (0.35) HSD17B1HSD17B2ESR2HTR7ESR1
SCHEMBL18806013 0.81 HSD17B1 (0.35) HSD17B1HSD17B2ESR2CYP3A4ALDH1A1
SCHEMBL18308733 0.80 ALDH1A1 (0.35) HSD17B1HSD17B2CYP3A4NOS3NOS1
SCHEMBL18308789 0.80 ALDH1A1 (0.35) HSD17B1HSD17B2CYP3A4NOS3NOS1

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-11718791-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2023-08-08 — — US disclosed
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS GMBH, MERCK PATENT (DE) 2017-05-04 — — 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-11718791-B2 Polymerisable compounds and the use thereof in liquid-crystal displays VCL, ILK, LCP1 HSD17B1 4322/4885HSD17B2 4127/4885ESR2 4146/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C HSD17B1 4477/4885HSD17B2 4441/4885ESR2 4322/4885

“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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