SCHEMBL15767005

SCHEMBL15767005

CCCCCCCCCCCCCCCOc1cccc(C(=O)OCCCBr)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.61
PLA2G4B P0C869 2/20 0.57
THRA P10827 1/20 0.56
THRB P10828 1/20 0.56
KMT2A Q03164 1/20 0.55
LMNA P02545 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.50
ESR1 P03372 1/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50

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
SCHEMBL27914875 0.95 KMT2A (0.57) SMPD1PLA2G4BTHRATHRBKMT2A
SCHEMBL17961060 0.93 SMPD1 (0.68) SMPD1PLA2G4BTHRATHRBKMT2A
SCHEMBL17961074 0.93 SMPD1 (0.68) SMPD1PLA2G4BTHRATHRBKMT2A
SCHEMBL17961053 0.93 SMPD1 (0.68) SMPD1PLA2G4BTHRATHRBKMT2A
SCHEMBL11347541 0.92 SMPD1 (0.67) SMPD1PLA2G4BTHRATHRBKMT2A
SCHEMBL17961066 0.92 SMPD1 (0.66) SMPD1PLA2G4BTHRATHRBKMT2A
SCHEMBL23627035 0.89 SMPD1 (0.67) SMPD1PLA2G4BTHRATHRBKMT2A
SCHEMBL17961071 0.88 KMT2A (0.60) SMPD1PLA2G4BTHRATHRBKMT2A
SCHEMBL22438949 0.87 SMPD1 (0.67) SMPD1PLA2G4BTHRATHRBKMT2A
SCHEMBL15766529 0.87 SMPD1 (0.67) SMPD1PLA2G4BTHRATHRBKMT2A

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
EP-2740724-B1 COMPOUND FOR TREATING CARTILAGE DISORDERS ONO PHARMACEUTICAL CO (JP) 2016-12-28 EP disclosed
US-9085523-B2 Compound for treating cartilage disorders ONO PHARMACEUTICAL CO., LTD. (JP) 2015-07-21 US disclosed
US-20140171388-A1 COMPOUND FOR TREATING CARTILAGE DISORDERS ONO PHARMACEUTICAL CO., LTD. (JP) 2014-06-19 US disclosed
EP-2740724-A1 COMPOUND FOR TREATING CARTILAGE DISORDERS ONO Pharmaceutical Co., Ltd. (JP) 2014-06-11 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-20140171388-A1 COMPOUND FOR TREATING CARTILAGE DISORDERS COL2A1, COL1A1, ADAMTS1 SMPD1 4318/4885PLA2G4B 3569/4885THRA 714/4885

“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.