SCHEMBL4133758

SCHEMBL4133758

CCCCCCCCCCCCCCCCCCOc1cc(CO)cc(C)c1OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.49
S1PR1 P21453 3/20 0.49
S1PR3 Q99500 3/20 0.49
LPAR2 Q9HBW0 3/20 0.49
THRA P10827 5/20 0.45
THRB P10828 5/20 0.45
ESR1 P03372 2/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL444543 0.92 S1PR2 (0.44) S1PR2S1PR1S1PR3LPAR2THRA
SCHEMBL13963208 0.92 S1PR2 (0.44) S1PR2S1PR1S1PR3LPAR2THRA
SCHEMBL1201128 0.90 THRA (0.45) THRATHRB
SCHEMBL1201162 0.90 THRA (0.45) THRATHRB
SCHEMBL1201515 0.90 THRA (0.45) THRATHRB
SCHEMBL1201657 0.90 THRA (0.45) THRATHRB
SCHEMBL1201460 0.90 THRA (0.45) THRATHRB
SCHEMBL4864512 0.90 THRA (0.45) THRATHRB
SCHEMBL1200630 0.90 THRA (0.45) THRATHRB
SCHEMBL96240 0.90 THRA (0.45) THRATHRB

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
US-9284348-B2 Method for synthesis of peptide using a carrier JITSUBO CO., LTD. (JP) 2016-03-15 US disclosed
US-20140107319-A1 CARRIER FOR SEPARATION, METHOD FOR SEPARATION OF COMPOUND, AND METHOD FOR SYNTHESIS OF PEPTIDE USING THE CARRIER JITSUBO CO., LTD. (JP) 2014-04-17 US disclosed
US-8293948-B2 Reagent for organic synthesis and method of organic synthesis reaction with the reagent JITSUBO CO., LTD. (JP) 2012-10-23 US disclosed
US-20120108788-A1 REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT JITSUBO CO., LTD. (JP) 2012-05-03 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 (2 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-20140107319-A1 CARRIER FOR SEPARATION, METHOD FOR SEPARATION OF COMPOUND, AND METHOD FOR SYNTHESIS OF PEPTIDE USING THE CARRIER CCKBR, CCKAR, VIP S1PR2 1755/4885S1PR1 1933/4885S1PR3 2178/4885
US-20120108788-A1 REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT COASY, OSTC, OGA S1PR2 2628/4885S1PR1 2868/4885S1PR3 3304/4885

“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.