SCHEMBL1319713

SCHEMBL1319713

Cc1c(C(=O)O)cccc1-c1ncc(O)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MYC P01106 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ LDHA P00338 1/20 0.43
▸ LDHB P07195 1/20 0.43
▸ TSHR P16473 1/20 0.41
▸ HNF4A P41235 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39

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
SCHEMBL3108743 0.83 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2L3MBTL1MYC
SCHEMBL5046158 0.78 MYC (0.59) PTGER1ALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL1319714 0.77 KDM4E (0.51) ALDH1A1HPGDPOLBMYCKDM4E
SCHEMBL6440453 0.75 HSD17B10 (0.53) PTGER1ALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL13504677 0.73 ALDH1A1 (0.55) PTGER1ALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL13504679 0.72 HNF4A (0.50) PTGER1ALDH1A1HPGDPOLBSMN1; SMN2
Benzene SCHEMBL27265959 0.72 TSHR (0.61) ALDH1A1HPGDPOLBSMN1; SMN2L3MBTL1
SCHEMBL756585 0.72 TSHR (0.61) ALDH1A1HPGDPOLBSMN1; SMN2L3MBTL1
SCHEMBL27703149 0.72 TSHR (0.61) ALDH1A1HPGDPOLBSMN1; SMN2L3MBTL1
SCHEMBL3716970 0.72 MYC (0.61) PTGER1ALDH1A1HPGDPOLBSMN1; SMN2

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-9376426-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-06-28 — — US disclosed
US-8853211-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2014-10-07 — — US disclosed
US-20140148463-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2014-05-29 — — US disclosed
US-20110269765-A1 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2011-11-03 — — 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-20140148463-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 PTGER1 845/4885ALDH1A1 919/4885HPGD 2214/4885
US-20110269765-A1 Pyridazinone derivatives MET, RET, ERBB2 PTGER1 845/4885ALDH1A1 919/4885HPGD 2214/4885

“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.

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