SCHEMBL18308805

SCHEMBL18308805

Cc1cc(CP)ccc1-c1cccc(-c2cc(CP)cc(CP)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 3/20 0.41
▸ FFAR1 O14842 6/20 0.36
▸ ESR2 Q92731 2/20 0.36
▸ ALDH2 P05091 1/20 0.33
▸ FFAR4 Q5NUL3 2/20 0.33
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ CYP1A1 P04798 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2E1 P05181 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C8 P10632 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2A6 P11509 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP4B1 P13584 2/20 0.32
▸ CYP2B6 P20813 2/20 0.32
▸ CYP3A5 P20815 2/20 0.32
▸ CYP2A7 P20853 2/20 0.32
▸ CYP3A7 P24462 2/20 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
SCHEMBL18806015 0.89 HTR7 (0.38) HTR7FFAR1ESR2AKR1C3AKR1C2
SCHEMBL18308778 0.84 HTR7 (0.36) HTR7FFAR1ESR2ALDH2ESR1
SCHEMBL18308804 0.84 HTR7 (0.36) HTR7FFAR1ESR2ALDH2AKR1C3
SCHEMBL18308785 0.83 HTR7 (0.37) HTR7FFAR1ESR2ALDH2FFAR4
SCHEMBL18308797 0.83 HTR7 (0.35) HTR7FFAR1ESR2ALDH2AKR1C3
SCHEMBL18308807 0.82 HTR7 (0.33) HTR7ESR2AKR1C3AKR1C2ESR1
SCHEMBL12635517 0.80 AGXT (0.41) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL18308810 0.80 HTR7 (0.35) HTR7FFAR1ESR2AKR1C3AKR1C2
SCHEMBL18308774 0.79 ESR1 (0.33) HTR7ESR2AKR1C3AKR1C2ESR1
SCHEMBL18308717 0.78 MEN1 (0.41) CYP3A4CYP2C9ESR1

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 HTR7 4122/4885FFAR1 3780/4885ESR2 4381/4885

“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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