SCHEMBL5166959

SCHEMBL5166959

CCC[C@H]1CC[C@H](c2ccc(-c3cccc(F)c3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
TAAR1 Q96RJ0 3/20 0.43
ESR2 Q92731 2/20 0.41
PAX8 Q06710 3/20 0.40
CYP17A1 P05093 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
GRM2 Q14416 1/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 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
SCHEMBL5166964 1.00 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL1813388 0.91 MGLL (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2883392 0.91 MGLL (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6452615 0.87 PAX8 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6452617 0.87 PAX8 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9226984 0.87 CYP2C9 (0.51) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9226977 0.87 CYP2C9 (0.51) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7506574 0.85 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8027625 0.85 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL28560659 0.85 TAAR1 (0.55) TAAR1ESR2PAX8CYP17A1CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1310542-B1 Liquid crystalline compound, medium and display MERCK PATENT GMBH (DE) 2007-04-18 EP disclosed
US-6753046-B2 ELECTROOPTIC DISPLAYING MERCK PATENT GMBH (DE) 2004-06-22 US disclosed
US-20030190436-A1 Liquid crystalline compound, medium and display MERCK PATENT GMBH (DE) 2003-10-09 US disclosed
EP-1310542-A1 Liquid crystalline compound, medium and display MERCK PATENT GmbH (DE) 2003-05-14 EP 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-20030190436-A1 Liquid crystalline compound, medium and display OCIAD1, OCIAD2, CFB CYP2C9 3133/4885ALDH1A1 1308/4885LMNA 2011/4885

“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.