SCHEMBL3513098

SCHEMBL3513098

C[C@](N)(C(=O)O)c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
POLB P06746 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 5/20 0.39
CYP1A2 P05177 3/20 0.39
PTPN1 P18031 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
PKM P14618 1/20 0.37
PTPN7 P35236 1/20 0.37
BLM P54132 1/20 0.37
ESR2 Q92731 1/20 0.37
CYP2D6 P10635 3/20 0.36
PTGS1 P23219 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL637383 1.00 MAPT (0.42) MAPTPOLBKMT2AMEN1KDM4E
SCHEMBL27964089 0.80 MAPT (0.44) MAPTPOLBKMT2AMEN1KDM4E
SCHEMBL28529969 0.80 KMT2A (0.46) MAPTPOLBKMT2AMEN1KDM4E
SCHEMBL9402238 0.80 MAPT (0.44) MAPTPOLBKMT2AMEN1KDM4E
SCHEMBL5041397 0.78 MAPT (0.43) MAPTPOLBKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL9402285 0.78 MAPT (0.43) MAPTPOLBKMT2AMEN1KDM4E
Bicarbonate SCHEMBL28968865 0.76 MAPT (0.49) MAPTPOLBKMT2AMEN1KDM4E
SCHEMBL9442571 0.75
SCHEMBL29175499 0.74
SCHEMBL5775892 0.74

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
CN-113788877-A Novel insect kinin analogs and application thereof in aphid control 中国农业大学 2021-12-14 CN claimed
CN-113788877-A Novel insect kinin analogs and application thereof in aphid control 中国农业大学 2021-12-14 CN disclosed
US-20100285540-A1 Process for the preparation of (R)-Beta-Arylalanines by coupled Racemase/Aminomutase catalysis BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2010-11-11 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-20100285540-A1 Process for the preparation of (R)-Beta-Arylalanines by coupled Racemase/Aminomutase catalysis ARSA, RNPEP, DDC MAPT 3984/4885POLB 80/4885KMT2A 1532/4885

“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.