SCHEMBL18308775

SCHEMBL18308775

Cc1cc(-c2cccc(-c3ccc(P)cc3)c2)ccc1CP

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 3/20 0.40
▸ HSD17B2 P37059 3/20 0.40
▸ MEN1 O00255 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ESR2 Q92731 1/20 0.35
▸ ABL1 P00519 3/20 0.33
▸ ABCB1 P08183 3/20 0.33
▸ BCR P11274 3/20 0.33
▸ RXRA P19793 2/20 0.33
▸ RXRB P28702 2/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL18308729 0.93 ALDH1A1 (0.37) HSD17B1HSD17B2RXRARXRBCYP3A4
SCHEMBL18308756 0.93 ALDH1A1 (0.37) HSD17B1HSD17B2RXRARXRBCYP3A4
SCHEMBL18308776 0.88 RXRA (0.35) RXRARXRBCYP3A4ALDH1A1TSHR
SCHEMBL18308808 0.85 HSD17B1 (0.38) HSD17B1HSD17B2MEN1ESR1KMT2A
SCHEMBL18308747 0.84 ESR2 (0.35) HSD17B1ESR1ESR2RXRARXRB
SCHEMBL18308811 0.83 HSD17B1 (0.36) HSD17B1HSD17B2MEN1ESR1KMT2A
SCHEMBL18621858 0.83 MEN1 (0.40) HSD17B1HSD17B2MEN1ESR1KMT2A
SCHEMBL20248284 0.82 ALDH1A1 (0.44) HSD17B1HSD17B2ESR2RXRARXRB
SCHEMBL18621842 0.81 HSD17B1 (0.44) HSD17B1HSD17B2MEN1ESR1KMT2A
SCHEMBL18308809 0.81 HSD17B1 (0.35) HSD17B1HSD17B2MEN1ESR1KMT2A

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-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
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 (3 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 4127/4885MEN1 2071/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C HSD17B1 4477/4885HSD17B2 4441/4885MEN1 2402/4885
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 HSD17B1 4390/4885HSD17B2 4365/4885MEN1 2138/4885

“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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