SCHEMBL23748684

SCHEMBL23748684

CC/C=C\CCOc1cccc(C(=O)O)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
PTK2B Q14289 1/20 0.44
PTGER1 P34995 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
APEX1 P27695 1/20 0.39
NPC1 O15118 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL28620825 1.00 ALDH1A1 (0.44) ALDH1A1KMT2APTK2BPTGER1KDM4E
SCHEMBL28612051 0.92 KMT2A (0.44) ALDH1A1KMT2APTK2BPTGER1MEN1
SCHEMBL23748649 0.92 KMT2A (0.44) ALDH1A1KMT2APTK2BPTGER1MEN1
SCHEMBL300776 0.87 ALDH1A1 (0.59) ALDH1A1KMT2APTK2BKDM4EMEN1
SCHEMBL633865 0.87 ALDH1A1 (0.59) ALDH1A1KMT2APTK2BKDM4EMEN1
SCHEMBL23748655 0.86 MAPT (0.43) ALDH1A1KMT2AKDM4EMEN1NR1I2
SCHEMBL23748646 0.86 PTGER1 (0.46) ALDH1A1KMT2APTK2BPTGER1KDM4E
SCHEMBL23748712 0.86 PTGER1 (0.46) ALDH1A1KMT2APTK2BPTGER1KDM4E
SCHEMBL2340348 0.82 KMT2A (0.51) ALDH1A1KMT2APTK2BPTGER1KDM4E
SCHEMBL4101951 0.81 KMT2A (0.51) ALDH1A1KMT2APTK2BPTGER1KDM4E

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-20210380521-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF BASF AS (NO) 2021-12-09 US disclosed
EP-3864001-A1 ROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF BASF AS (NO) 2021-08-18 EP disclosed
CN-113166024-A Aromatic compounds and their medical use 巴斯夫股份公司 2021-07-23 CN 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-20210380521-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF GLS2, FFAR3, SLC10A1 ALDH1A1 530/4885KMT2A 2026/4885PTK2B 3688/4885

“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.