SCHEMBL18010707

SCHEMBL18010707

CCCOc1ccc(OC)c(F)c1C(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PDE4D Q08499 1/20 0.46
▸ MRGPRX4 Q96LA9 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA7 P43166 1/20 0.43

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
SCHEMBL16333898 0.88 PDE4D (0.46) LMNAPDE4DMRGPRX4HPGDHSD17B10
SCHEMBL18010709 0.88 PDE4D (0.48) LMNARAB9APDE4DHPGDHSD17B10
SCHEMBL28476882 0.85 HTT (0.57) TSHRLMNAMAPK1HTTRAB9A
SCHEMBL4630412 0.85 LMNA (0.48) TSHRLMNAMAPK1HTTRAB9A
SCHEMBL22394631 0.84 TSHR (0.48) TSHRLMNAMAPK1HTTRAB9A
SCHEMBL16333650 0.83 CDC25B (0.48) LMNAHTTRAB9APDE4DMRGPRX4
SCHEMBL18151908 0.81 RARB (0.46) TSHRLMNAMAPK1HTTRAB9A
SCHEMBL8128858 0.79 HTT (0.54) TSHRLMNAMAPK1HTTRAB9A
SCHEMBL7334285 0.77 CA12 (0.69) TSHRHTTPDE4DHPGDHSD17B10
SCHEMBL177336 0.77 TSHR (0.77) TSHRMAPK1MRGPRX4HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10098975-B2 Labeled pkg-1-alpha-binding compounds and their use in imaging and quantifying pain THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-10-16 — — US disclosed
EP-3013339-B1 LABELED PKG-1-ALPHA-BINDING COMPOUNDS AND THEIR USE IN IMAGING AND QUANTIFYING PAIN UNIV COLUMBIA (US) 2018-09-12 — — EP disclosed
US-20160243266-A1 Labeled pkg-1-alpha-binding compounds and their use in imaging and quantifying pain THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-08-25 — — 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-10098975-B2 Labeled pkg-1-alpha-binding compounds and their use in imaging and quantifying pain OPRK1, PKN1, PRKG1 TSHR 2605/4885LMNA 2262/4885MAPK1 297/4885
US-20160243266-A1 Labeled pkg-1-alpha-binding compounds and their use in imaging and quantifying pain OPRK1, PKN1, PRKG1 TSHR 2605/4885LMNA 2262/4885MAPK1 297/4885

“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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