SCHEMBL5580486

SCHEMBL5580486

CCC[C@H]1CC[C@H](c2cc(F)c(C#N)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPV4 Q9HBA0 1/20 0.37
GRM2 Q14416 5/20 0.36
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ESR2 Q92731 1/20 0.31
AR P10275 1/20 0.31
CHRM2 P08172 1/20 0.31

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
SCHEMBL8132163 1.00 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9631737 0.98 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9631721 0.98 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9631725 0.98 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL5886526 0.96 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL5886524 0.96 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL5886518 0.96 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8973033 0.92 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8973395 0.92 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8973042 0.92 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166337-B2 Liquid-crystal composition, methods of adjusting the resistance, and substituted phenols MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2007-01-23 US disclosed
US-20020084444-A1 Liquid-crystal composition, methods of adjusting the resistance, and substituted phenols MERCK PATENT GESELLSCHAFT MIT (DE) 2002-07-04 US disclosed
US-6139925-A Liquid-crystal composition, method of adjusting the resistance, and substituted phenols MERCK PATENT GESELLSCHAFT MIT (DE) 2000-10-31 US disclosed
EP-0090183-B1 POLYHALOGENATED AROMATIC COMPOUNDS MERCK PATENT GmbH (DE) 1986-02-19 EP disclosed
US-4551264-A Polyhalogenoaromatic compounds for liquid crystal compositions MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-11-05 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-20020084444-A1 Liquid-crystal composition, methods of adjusting the resistance, and substituted phenols SLC11A2, RCC1, ABCC1 CYP2C9 210/4885ALDH1A1 1947/4885LMNA 966/4885

“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.