SCHEMBL5599322

SCHEMBL5599322

CCCCCCCCCCCCOc1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.66
LTA4H P09960 3/20 0.58
TP53 P04637 2/20 0.58
TSHR P16473 1/20 0.58
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
HSD17B10 Q99714 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PLA2G4B P0C869 1/20 0.56
HRH3 Q9Y5N1 5/20 0.53
RARB P10826 2/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53

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
SCHEMBL11662072 1.00 NR5A1 (0.66) NR5A1LTA4HTP53TSHRNPC1
SCHEMBL6122097 1.00 NR5A1 (0.66) NR5A1LTA4HTP53TSHRNPC1
SCHEMBL6907235 0.98 NR5A1 (0.62) NR5A1LTA4HTP53TSHRNPC1
SCHEMBL14264671 0.94 RARB (0.61) NR5A1LTA4HTP53TSHRNPC1
SCHEMBL3790721 0.94 NPC1 (0.61) NR5A1LTA4HTSHRNPC1RAB9A
SCHEMBL7185520 0.92 NPC1 (0.62) NR5A1LTA4HTP53TSHRNPC1
SCHEMBL11815991 0.89 HRH3 (0.61) HRH3
SCHEMBL30514014 0.89 HRH3 (0.61) HRH3
SCHEMBL1573968 0.89 NR5A1 (0.79) NR5A1LTA4HTP53TSHRNPC1
SCHEMBL11095674 0.89 NR5A1 (0.79) NR5A1LTA4HTP53TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871980-B2 Process for producing hydrogen or heavy hydrogens, and hydrogenation (protiation, deuteration or tritiation) of organic compounds using same SHIONO CHEMICAL CO., LTD. (JP) 2014-10-28 US disclosed
US-20130150623-A1 PROCESS FOR PRODUCING HYDROGEN OR HEAVY HYDROGENS, AND HYDROGENATION (PROTIATION, DEUTERATION OR TRITIATION) OF ORGANIC COMPOUNDS USING SAME SHIONO CHEMICAL CO., LTD. (JP) 2013-06-13 US disclosed
EP-1312605-B1 Method for producing biaryl compounds SUMITOMO CHEMICAL CO (JP) 2007-04-25 EP disclosed
US-7122711-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20030158419-A1 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-21 US disclosed
EP-1312605-A1 Method for producing biaryl compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-21 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-20030158419-A1 Method for producing biaryl compound B2M, BMI1, CYP2W1 NR5A1 263/4885LTA4H 3037/4885TP53 4374/4885

“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.