SCHEMBL5244532

SCHEMBL5244532

CCCCCC1CCC(c2cc(F)c(C(=O)O)c(F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.41
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMPD1 P17405 1/20 0.35
▸ PLK1 P53350 1/20 0.35
▸ PLK3 Q9H4B4 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ ITGB3 P05106 1/20 0.33

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
SCHEMBL8635813 1.00 CYP2C9 (0.41) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL8734077 0.95 CYP2C9 (0.47) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL8734075 0.95 CYP2C9 (0.47) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL8734072 0.95 CYP2C9 (0.47) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL4861782 0.90 CYP2C9 (0.50) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL4861791 0.90 CYP2C9 (0.50) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10891960 0.89 MAPT (0.41) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10927411 0.88 CYP2C9 (0.40) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10927418 0.88 CYP2C9 (0.40) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10926849 0.87 CYP2C9 (0.39) CYP2C9MAPTALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259503-B1 PRODUCING LIQUID CRYSTALS WITH CF2O BOND MERCK PATENT GMBH (DE) 2007-09-12 — — EP disclosed
EP-1259503-B1 PRODUCING LIQUID CRYSTALS WITH CF2O BOND MERCK PATENT GMBH (DE) 2007-09-12 — — EP disclosed
US-6787062-B2 REACTING BIS(ALKYLTHIO)CARBENIUM SALT WITH HYDROXYL COMPOUND IN PRESENCE OF BASE; FLUORINATION AND OXIDATION MERCK PATENT GMBH (DE) 2004-09-07 — — US disclosed
US-20030069433-A1 Producing liquid crystals with cf2o bond MERCK PATENT GMBH (DE) 2003-04-10 — — US disclosed
EP-1259503-A1 PRODUCING LIQUID CRYSTALS WITH CF2O BOND MERCK PATENT GmbH (DE) 2002-11-27 — — EP disclosed
WO-2001064667-A1 PRODUCING LIQUID CRYSTALS WITH CF2O BOND MERCK PATENT GMBH (DE) 2001-09-07 — — WO disclosed
US-5725799-A LIQUID CRYSTALLINE MEDIUM FOR USE IN ELECTROOPTICAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-10 — — US 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-20030069433-A1 Producing liquid crystals with cf2o bond LPO, SCO2, NOXO1 CYP2C9 1776/4885MAPT 3038/4885ALDH1A1 2058/4885

“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.

Send feedback