SCHEMBL25846210

SCHEMBL25846210

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
VDR P11473 5/20 0.35
KLF10 Q13118 1/20 0.33
ACE2 Q9BYF1 1/20 0.31
CTSD P07339 2/20 0.31
BACE1 P56817 2/20 0.31
ATM Q13315 1/20 0.31
EPHX2 P34913 2/20 0.31
SHBG P04278 1/20 0.30

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
SCHEMBL25846223 0.83 ESR1 (0.35) ESR1ESR2VDRKLF10ACE2
SCHEMBL25846208 0.83 ESR1 (0.35) ESR1ESR2VDRKLF10ACE2
SCHEMBL25751730 0.80 ESR1 (0.48) ESR1ESR2VDRKLF10ACE2
SCHEMBL10916780 0.77 ESR1 (0.48) ESR1ESR2ATMEPHX2
SCHEMBL25846204 0.77 SLC6A2 (0.47) ESR1VDRKLF10ACE2SHBG
SCHEMBL10914831 0.76 HRH3 (0.38) ESR1ESR2ATM
SCHEMBL10916864 0.74 ATM (0.53) ESR1ESR2ATM
SCHEMBL12416184 0.72 ENPP2 (0.43) VDRSHBG
SCHEMBL10915580 0.71 ESR1 (0.44) ESR1ESR2
SCHEMBL8566624 0.70 DRD2 (0.47) ESR1ESR2ATM

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.