SCHEMBL18308754

SCHEMBL18308754

Cc1cc(P)ccc1-c1ccc(-c2ccc(P)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 3/20 0.41
▸ HSD17B1 P14061 1/20 0.39
▸ ESR1 P03372 2/20 0.38
▸ RARB P10826 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ ACACA Q13085 1/20 0.31
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ FGFR1 P11362 1/20 0.30
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL18308740 0.98 ESR2 (0.42) ESR2HSD17B1ESR1RARBACACB
SCHEMBL18308749 0.95 ESR2 (0.43) ESR2HSD17B1ESR1RARBACACB
SCHEMBL18308791 0.91 ESR2 (0.38) ESR2HSD17B1ESR1ALDH1A1TDP1
SCHEMBL18308742 0.91 ESR2 (0.41) ESR2HSD17B1ESR1RARBPDE3B
SCHEMBL18411623 0.90 ESR2 (0.55) ESR2HSD17B1PDE3BPDE3AALDH1A1
SCHEMBL18308734 0.89 ESR2 (0.39) ESR2HSD17B1ESR1ALDH1A1TDP1
SCHEMBL18308787 0.87 ESR2 (0.40) ESR2HSD17B1ESR1ALDH1A1TDP1
SCHEMBL18308761 0.87 ESR2 (0.40) ESR2HSD17B1ESR1PDE3BPDE3A
SCHEMBL18308786 0.85 ESR2 (0.37) ESR2HSD17B1ESR1ALDH1A1CYP3A4
SCHEMBL18308763 0.85 ESR2 (0.37) ESR2HSD17B1ESR1ALDH1A1CYP3A4

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 9 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-20230183571-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-06-15 — — US disclosed
EP-4194529-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS Merck Patent GmbH (DE) 2023-06-14 — — EP disclosed
EP-3755764-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2023-05-10 — — EP disclosed
WO-2021048092-A1 LIQUID-CRYSTAL MEDIA AND PNLC LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2021-03-18 — — WO disclosed
US-20180201837-A1 Method of Reducing ODF Mura in Polymer Stabilised Liquid Crystal Displays MERCK PATENT GMBH (DE) 2018-07-19 — — US disclosed
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS GMBH, MERCK PATENT (DE) 2017-05-04 — — US disclosed
EP-3124465-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2017-02-01 — — EP 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 ESR2 4146/4885HSD17B1 4322/4885ESR1 2744/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C ESR2 4322/4885HSD17B1 4477/4885ESR1 2626/4885
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 ESR2 4381/4885HSD17B1 4390/4885ESR1 3527/4885

“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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