SCHEMBL17540353

SCHEMBL17540353

CCCCc1ccc(-c2ccc(Cl)cc2CC)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTRC Q99895 1/20 0.49
▸ FFAR1 O14842 2/20 0.45
▸ FFAR4 Q5NUL3 2/20 0.45
▸ RARB P10826 4/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ EIF4A1 P60842 2/20 0.41
▸ LTB4R2 Q9NPC1 1/20 0.41
▸ KCNH2 Q12809 4/20 0.41
▸ GPR84 Q9NQS5 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GCGR P47871 1/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ MMP3 P08254 1/20 0.39

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
SCHEMBL13454812 0.89 CTRC (0.48) CTRCFFAR1FFAR4RARBAKR1C2
SCHEMBL12574736 0.85 FFAR1 (0.44) FFAR1FFAR4CNR2LTB4R2ALDH1A1
SCHEMBL11499872 0.83 FFAR1 (0.41) FFAR1FFAR4HPGD
SCHEMBL16807080 0.81 RARB (0.51) CTRCRARBAKR1C2AKR1C1GPR84
SCHEMBL9882832 0.81 SMN1; SMN2 (0.48) RARBAKR1C2AKR1C1EIF4A1GPR84
SCHEMBL13454810 0.81 CTRC (0.55) CTRCRARBAKR1C2AKR1C1CNR2
SCHEMBL13454809 0.81 XDH (0.48) CTRCRARBAKR1C2AKR1C1CNR2
SCHEMBL14681832 0.80 CTRC (0.45) CTRCFFAR1FFAR4RARBAKR1C2
SCHEMBL14681833 0.80 CTRC (0.48) CTRCFFAR1FFAR4RARBAKR1C2
SCHEMBL16807148 0.80 RARB (0.50) RARBAKR1C2AKR1C1GPR84ALDH1A1

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-9540566-B2 Devices for high-frequency technology, liquid-crystalline media and compounds MERCK PATENT GMBH (DE) 2017-01-10 — — US disclosed
US-20160046866-A1 DEVICES FOR HIGH-FREQUENCY TECHNOLOGY, LIQUID-CRYSTALLINE MEDIA AND COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2016-02-18 — — 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-20160046866-A1 DEVICES FOR HIGH-FREQUENCY TECHNOLOGY, LIQUID-CRYSTALLINE MEDIA AND COMPOUNDS MCM5, MCM3, MCM7 CTRC 870/4885FFAR1 4598/4885FFAR4 4565/4885

“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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