SCHEMBL18655447

SCHEMBL18655447

COCc1ccc(C2CCC(c3ccc(C4CCCC4)cc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
NAAA Q02083 2/20 0.43
ASAH1 Q13510 1/20 0.43
ESR2 Q92731 10/20 0.42
ESR1 P03372 6/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SPHK1 Q9NYA1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11151585 0.96 CARM1 (0.49) CARM1PRMT6NAAAASAH1ESR2
SCHEMBL18655446 0.93 CARM1 (0.44) CARM1PRMT6NAAAASAH1ESR2
SCHEMBL18588605 0.87 ESR2 (0.58) CARM1PRMT6ESR2ESR1CYP3A4
SCHEMBL22324977 0.81 SLC18A3 (0.50)
SCHEMBL8725437 0.81 ALDH1A1 (0.47) CARM1PRMT6ESR2ESR1CYP3A4
SCHEMBL8725107 0.81 ESR2 (0.36) CARM1PRMT6ESR2ESR1CYP3A4
SCHEMBL8732646 0.81 ESR2 (0.36) CARM1PRMT6ESR2ESR1CYP3A4
SCHEMBL8725432 0.81 ALDH1A1 (0.47) CARM1PRMT6ESR2ESR1CYP3A4
SCHEMBL8732537 0.81 ESR2 (0.36) CARM1PRMT6ESR2ESR1CYP3A4
SCHEMBL8732539 0.81 ESR2 (0.36) CARM1PRMT6ESR2ESR1CYP3A4

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 3626/4885NAAA 2753/4885

“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.