SCHEMBL2882011

SCHEMBL2882011

COCCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 6/20 0.70
TSHR P16473 2/20 0.67
TP53 P04637 1/20 0.67
PKM P14618 1/20 0.65
MAPK1 P28482 2/20 0.62
RARB P10826 5/20 0.61
HTT P42858 1/20 0.61
ALDH1A1 P00352 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
USP2 O75604 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
PLA2G4A P47712 1/20 0.58
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57

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
SCHEMBL6132822 0.95 TP53 (0.75) PLA2G4BTSHRTP53PKMMAPK1
SCHEMBL6132656 0.95 TP53 (0.75) PLA2G4BTSHRTP53PKMMAPK1
SCHEMBL18682480 0.95 TP53 (0.75) PLA2G4BTSHRTP53PKMMAPK1
SCHEMBL8747416 0.91 RARB (0.74) PLA2G4BTSHRTP53PKMMAPK1
SCHEMBL2741522 0.91 PKM (0.72) PLA2G4BTSHRTP53PKMMAPK1
SCHEMBL118037 0.90 PKM (0.77) PLA2G4BTSHRTP53PKMMAPK1
SCHEMBL7329413 0.90 RARB (0.77) PLA2G4BTSHRTP53PKMRARB
SCHEMBL18682414 0.90 RARB (0.77) PLA2G4BTSHRTP53PKMRARB
SCHEMBL21260346 0.90 RARB (0.68) PLA2G4BTSHRTP53PKMMAPK1
SCHEMBL7332700 0.90 RARB (0.77) PLA2G4BTSHRTP53PKMRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032532-A1 PHOTOCHROMIC COMPOUND, CURABLE COMPOSITION CONTAINING SAID PHOTOCHROMIC COMPOUND, AND OPTICAL ARTICLE TOKUYAMA CORPORATION (JP) 2021-02-04 US disclosed
US-8586609-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-11-19 US disclosed
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-11-25 US disclosed
US-7838547-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-11-23 US disclosed
US-20070299077-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-27 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-20070299077-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT PLA2G4B 3480/4885TSHR 995/4885TP53 2932/4885
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT PLA2G4B 3480/4885TSHR 995/4885TP53 2932/4885

“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.