SCHEMBL18319953

SCHEMBL18319953

COCOc1ccc(Oc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
PARP15 Q460N3 1/20 0.55
PARP10 Q53GL7 1/20 0.55
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SRD5A2 P31213 2/20 0.53
PKM P14618 1/20 0.53
PLA2G4B P0C869 3/20 0.51
MAPK1 P28482 2/20 0.51
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
USP2 O75604 1/20 0.49

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
SCHEMBL8123793 0.94 CA1 (0.61) CA1CA2NPC1POLBRAB9A
SCHEMBL155030 0.94 CA1 (0.61) CA1CA2NPC1POLBRAB9A
SCHEMBL12926337 0.83 MAPT (0.50) PARP10NPC1POLBRAB9ASMN1; SMN2
SCHEMBL450829 0.82 PKM (0.67) CA1CA2NPC1POLBRAB9A
SCHEMBL12926336 0.82 MMP2 (0.51) TSHR
SCHEMBL9549256 0.81 KMT2A (0.53) PARP10RAB9ASMN1; SMN2SRD5A2MAPK1
SCHEMBL3798190 0.81 CES2 (0.59) PARP10NPC1POLBRAB9ASMN1; SMN2
SCHEMBL1503531 0.81 PKM (0.56) CA1CA2NPC1POLBRAB9A
Ethane SCHEMBL11219716 0.80 PARP10 (0.72) CA1CA2PARP15PARP10RAB9A
SCHEMBL22281 0.80 PARP10 (0.78) CA1CA2PARP15PARP10POLB

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-3112343-B1 AMIDE DERIVATIVES UNIV TOHOKU (JP) 2023-03-29 EP disclosed
US-11040937-B2 Amide derivative TOHOKU UNIVERSITY (JP) 2021-06-22 US disclosed
EP-3112343-A1 AMIDE DERIVATIVES Tohoku University (JP) 2017-01-04 EP disclosed
US-20160368860-A1 AMIDE DERIVATIVE TOHOKU UNIVERSITY (JP) 2016-12-22 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-20160368860-A1 AMIDE DERIVATIVE ARG1, PTMS, MLX CA1 1294/4885CA2 1487/4885PARP15 3415/4885
US-11040937-B2 Amide derivative ARG1, PTMS, MLX CA1 1294/4885CA2 1487/4885PARP15 3415/4885

“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.