SCHEMBL25846300

SCHEMBL25846300

COc1cc(CC(C)(N)C#N)ccc1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ERN1 O75460 2/20 0.38
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAOB P27338 2/20 0.35
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL1648005 0.83 CA2 (0.50) ALDH1A1KDM4ETSHRPOLBLMNA
SCHEMBL24534352 0.83 CA2 (0.50) ALDH1A1KDM4ETSHRPOLBLMNA
SCHEMBL27873824 0.83 CA2 (0.50) ALDH1A1KDM4ETSHRPOLBLMNA
Hydrochloric Acid SCHEMBL5035634 0.81 CYP19A1 (0.49) ALDH1A1KDM4ETSHRPOLBLMNA
Hydrochloric Acid SCHEMBL27962953 0.81 CYP19A1 (0.49) ALDH1A1KDM4ETSHRPOLBLMNA
SCHEMBL25846288 0.81 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4ETSHRTDP1
SCHEMBL9162474 0.79 TAAR1 (0.54) ALDH1A1TSHRTDP1LMNACYP3A4
SCHEMBL14327024 0.75 ALDH1A1 (0.58) ALDH1A1L3MBTL1KDM4ETSHRTDP1
SCHEMBL14502124 0.74 ALDH1A1 (0.46) ALDH1A1L3MBTL1KDM4ETSHRTDP1
SCHEMBL465084 0.73 ALDH1A1 (0.56) ALDH1A1L3MBTL1KDM4ETSHRTDP1

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 ALDH1A1 371/4885L3MBTL1 1427/4885KDM4E 1719/4885

“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.