SCHEMBL20686397

SCHEMBL20686397

C/C(=C(\C(=O)O)c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
LMNA P02545 3/20 0.50
SRD5A2 P31213 1/20 0.48
HTT P42858 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
PKM P14618 2/20 0.45
ATM Q13315 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
NLRP1 Q9C000 1/20 0.45
GAA P10253 1/20 0.45
NTSR1 P30989 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL10777265 0.86 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2CES2CES1LMNA
SCHEMBL6743518 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2CES2CES1LMNA
SCHEMBL29113953 0.82 CES1 (0.50) ALDH1A1SMN1; SMN2CES2CES1LMNA
SCHEMBL14590999 0.82 CES1 (0.50) ALDH1A1SMN1; SMN2CES2CES1LMNA
SCHEMBL5839252 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2CES2CES1LMNA
SCHEMBL10918172 0.78 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CES2CES1LMNA
SCHEMBL20686405 0.78 CA1 (0.59) CES2CES1LMNANPSR1KMT2A
SCHEMBL20686427 0.78 SRD5A2 (0.53) ALDH1A1SMN1; SMN2LMNASRD5A2HTT
Hydrochloric Acid SCHEMBL11083905 0.77 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CES2CES1LMNA
SCHEMBL20686416 0.75 CES2 (0.61) ALDH1A1SMN1; SMN2CES2CES1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031591-A1 METHOD FOR PREPARING MULTI-SUBSTITUTED ACRYLIC ACID COMPOUND CHANG CHUN PLASTICS CO., LTD. (TW) 2019-01-31 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 (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-20190031591-A1 METHOD FOR PREPARING MULTI-SUBSTITUTED ACRYLIC ACID COMPOUND GRIA4, ASNS, GRIA1 ALDH1A1 821/4885SMN1; SMN2 2838/4885CES2 2964/4885

“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.