SCHEMBL641552

SCHEMBL641552

CCCCCCCCOc1ccc(-c2ccc(C(=O)Cl)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.75
TP53 P04637 1/20 0.67
TSHR P16473 1/20 0.67
PLA2G4B P0C869 6/20 0.65
PLA2G4A P47712 1/20 0.58
THRA P10827 2/20 0.56
THRB P10828 2/20 0.56
GAA P10253 1/20 0.56
NR5A1 Q13285 1/20 0.56
PTPN11 Q06124 1/20 0.54

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
SCHEMBL9502541 1.00 RARB (0.75) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9274539 1.00 RARB (0.75) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7767495 1.00 RARB (0.75) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7766926 1.00 RARB (0.75) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7766930 1.00 RARB (0.75) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7768450 1.00 RARB (0.75) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9450551 0.98 RARB (0.72) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL8728342 0.95 TP53 (0.73) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL4209056 0.95 TP53 (0.73) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9161795 0.95 TP53 (0.73) RARBTP53TSHRPLA2G4BPLA2G4A

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP disclosed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US disclosed
EP-2057173-A1 AMIDES AS SPHINGOMYELINE INHIBITORS Novartis AG (CH) 2009-05-13 EP disclosed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 WO disclosed
EP-0630954-B1 Low-molecular-weight and polymeric liquid cristalline benztriazoles and their use BASF AG (DE) 1997-01-08 EP disclosed
EP-0415833-B1 Optically active fluorine-containing alcohol compounds and liquid crystal compounds therefrom SHOWA SHELL SEKIYU (JP) 1996-09-11 EP disclosed
EP-0381149-B1 Optically active compound, liquid crystal composition and liquid crystal device comprising same SHARP KK (JP) 1996-03-27 EP disclosed
US-5429770-A Photoconductors, electrography, fluorescent dyes BASF AKTIENGESELLSCHAFT (DE) 1995-07-04 US disclosed
EP-0422996-B1 Liquid crystal compound SHOWA SHELL SEKIYU (JP) 1995-04-12 EP disclosed
EP-0409234-A2 Alpha-hydroxyketone derivatives, liquid crystal compositions containing said derivatives, and liquid crystal devices using said compositions Chisso Corporation (JP) 1991-01-23 EP disclosed
EP-0259995-B1 LIQUID CRYSTAL MATERIAL IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-17 EP disclosed
EP-0381149-A2 Optically active compound, liquid crystal composition and liquid crystal device comprising same SHARP KABUSHIKI KAISHA (JP) 1990-08-08 EP disclosed
US-4906402-A Liquid crystal material IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1990-03-06 US disclosed
EP-0315193-A2 Optically active compound and chiral liquid crystal composition containing the same NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1989-05-10 EP disclosed
EP-0297745-A1 Optically active ether derivatives, preparation processes therefor, liquid crystal materials and an optical switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-01-04 EP disclosed
EP-0110299-B1 SMECTIC LIQUID CRYSTAL COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS HITACHI, LTD. (JP) 1988-06-29 EP disclosed
EP-0259995-A1 Liquid crystal material IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-16 EP disclosed
US-4576732-A OPTICAL DISPLAYS HITACHI, LTD. (JP) 1986-03-18 US disclosed
EP-0110299-A2 Smectic liquid crystal compounds and liquid crystal compositions HITACHI, LTD. (JP) 1984-06-13 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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 RARB 4739/4885TP53 4791/4885TSHR 2541/4885

“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.