SCHEMBL16508380

SCHEMBL16508380

CCN(C(=O)c1ccccc1)c1cccc(C(=O)O)c1C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 4/20 0.45
POLB P06746 2/20 0.43
HPGD P15428 3/20 0.43
MYC P01106 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL16508384 0.89 TP53 (0.44) TSHRNPSR1ALDH1A1POLBHPGD
SCHEMBL16508376 0.85 MYC (0.43) TSHRALDH1A1POLBMYCLTB4R2
SCHEMBL1803233 0.84 TSHR (0.54) TSHRNPSR1ALDH1A1POLBHPGD
SCHEMBL11670709 0.80 TSHR (0.71) TSHRNPSR1ALDH1A1POLBHPGD
SCHEMBL11522678 0.78 TP53 (0.45) TSHRALDH1A1POLBHPGDMYC
SCHEMBL1574195 0.76 TSHR (0.44) TSHRALDH1A1POLBHPGDMYC
SCHEMBL27365569 0.75 TSHR (0.57) TSHRNPSR1ALDH1A1POLBHPGD
SCHEMBL1803821 0.74 TSHR (0.50) TSHRNPSR1ALDH1A1POLBHPGD
SCHEMBL28284130 0.74 NPSR1 (0.36) TSHRNPSR1ALDH1A1POLBHPGD
SCHEMBL13280135 0.73 TSHR (0.51) TSHRALDH1A1MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464060-B2 Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-11 US disclosed
US-20150057298-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2015-02-26 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-20150057298-A1 NOVEL COMPOUNDS F12, C1R, CHRM1 TSHR 364/4885NPSR1 41/4885ALDH1A1 1598/4885

“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.