SCHEMBL18655446

SCHEMBL18655446

COCc1ccc(-c2ccc(C3CCCC3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PTGS2 P35354 1/20 0.42
NAAA Q02083 2/20 0.42
ASAH1 Q13510 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
NOTUM Q6P988 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
MAPT P10636 2/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
S1PR1 P21453 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL18655447 0.93 CARM1 (0.46) CARM1PRMT6NAAAASAH1HRH3
SCHEMBL11151585 0.93 CARM1 (0.49) CARM1PRMT6NAAAASAH1HRH3
SCHEMBL8736317 0.81 CYP2C9 (0.50) PTGS2MAPTKMT2AALDH1A1ESR1
SCHEMBL8731088 0.81 ERN1 (0.35) CARM1PRMT6PTGS2ESR1ESR2
SCHEMBL8732489 0.81 ERN1 (0.35) CARM1PRMT6PTGS2ESR1ESR2
SCHEMBL8732494 0.81 ERN1 (0.35) CARM1PRMT6PTGS2ESR1ESR2
SCHEMBL8736320 0.81 CYP2C9 (0.50) PTGS2MAPTKMT2AALDH1A1ESR1
SCHEMBL18588605 0.80 ESR2 (0.58) CARM1PRMT6HRH3ESR1ESR2
SCHEMBL8728207 0.80 HDAC2 (0.36) CARM1PRMT6PTGS2ESR1ESR2
SCHEMBL8728203 0.80 HDAC2 (0.36) CARM1PRMT6PTGS2ESR1ESR2

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-20170081587-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-23 US disclosed
US-20170081587-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-23 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-20170081587-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE INCLUDING THE SAME C2CD5, C1S, CCR10 CARM1 2688/4885PRMT6 3626/4885PTGS2 3454/4885

“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.