SCHEMBL19736626

SCHEMBL19736626

CCCCOCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
ALDH1A1 P00352 3/20 0.45
RECQL P46063 1/20 0.44
LTA4H P09960 2/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RARB P10826 1/20 0.37
PTGS2 P35354 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
SCHEMBL15128610 0.92 TSHR (0.45) TSHRALDH1A1RECQLLTA4HHPGD
SCHEMBL15715715 0.91 LTA4H (0.44) TSHRALDH1A1RECQLLTA4HHPGD
SCHEMBL19040816 0.89 LTA4H (0.43) TSHRALDH1A1RECQLLTA4HHPGD
SCHEMBL19040904 0.89 LTA4H (0.43) TSHRALDH1A1RECQLLTA4HHPGD
SCHEMBL20667097 0.89 LTA4H (0.43) TSHRALDH1A1RECQLLTA4HHPGD
SCHEMBL10169910 0.86 TSHR (0.36) TSHRALDH1A1RECQLHPGDTDP1
SCHEMBL838146 0.85 TSHR (0.36) TSHRALDH1A1RECQLTDP1L3MBTL1
SCHEMBL19886841 0.85 LTA4H (0.44) TSHRALDH1A1RECQLLTA4HHPGD
SCHEMBL14790917 0.83 LMNA (0.39) TSHRALDH1A1TDP1L3MBTL1
SCHEMBL18323388 0.82 NCF1 (0.38) ALDH1A1LTA4HL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360759-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS SYNGENE INTERNATIONAL LIMITED (IN) 2017-12-21 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-20170360759-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 TSHR 554/4885ALDH1A1 3382/4885RECQL 4151/4885

“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.