SCHEMBL25846223

SCHEMBL25846223

CC(N)(C#N)Cc1ccc(CO)c(CO)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
VDR P11473 4/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGFR P00533 1/20 0.33
CYP1A2 P05177 1/20 0.33
FYN P06241 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 1/20 0.33
ADRA1A P35348 1/20 0.33
PTGS2 P35354 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL25846208 1.00 ESR1 (0.35) ESR1ESR2VDRKDM4EMEN1
SCHEMBL25846210 0.83 ESR1 (0.37) ESR1ESR2VDRKLF10ACE2
SCHEMBL25846204 0.81 SLC6A2 (0.47) ESR1VDRKDM4EMEN1USP2
SCHEMBL25751730 0.77 ESR1 (0.48) ESR1ESR2VDRKDM4EMEN1
SCHEMBL9161555 0.77 ALOX15 (0.57) ESR1KDM4EMEN1USP2ALDH1A1
SCHEMBL25846211 0.74 CYP3A4 (0.46) VDRKDM4EMEN1USP2ALDH1A1
SCHEMBL25846222 0.74 CYP1A2 (0.62) VDRKDM4EMEN1USP2ALDH1A1
SCHEMBL10492288 0.72 TAAR1 (0.49) ALDH1A1CYP1A2CYP3A4GAAMAPT
SCHEMBL18801247 0.72 ESR1 (0.41) ESR1ESR2KDM4EMEN1USP2
SCHEMBL24534352 0.71 CA2 (0.50) KDM4EMEN1USP2ALDH1A1CYP1A2

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-11702383-B2 Methods for producing D-α-methyldopa IMMUNOMOLECULAR THERAPEUTICS, INC. (US) 2023-07-18 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-11702383-B2 Methods for producing D-α-methyldopa AMPD2, AMPD3, AMPD1 ESR1 3494/4885ESR2 2322/4885VDR 757/4885

“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.