SCHEMBL17693635

SCHEMBL17693635

Cc1cc(CC(C)C=O)ccc1OP(C)(C)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ S1PR2 O95136 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ LPAR2 Q9HBW0 1/20 0.34
▸ CARM1 Q86X55 2/20 0.33
▸ PRMT6 Q96LA8 2/20 0.33
▸ ALOX15 P16050 5/20 0.33
▸ ALOX12 P18054 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ LDHA P00338 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL7644614 0.82 TP53 (0.46) TP53TSHRALOX15ALOX12LDHA
SCHEMBL17693614 0.78 TP53 (0.43) TP53TSHRCARM1PRMT6ALOX15
SCHEMBL7770130 0.78 ESR1 (0.42) S1PR2S1PR1S1PR3LPAR2CARM1
SCHEMBL29781139 0.76 TP53 (0.53) TP53TSHRALOX15ALOX12NPSR1
SCHEMBL25395008 0.76 TP53 (0.53) TP53TSHRALOX15ALOX12NPSR1
SCHEMBL17693594 0.72 ESR1 (0.53) TP53TSHRALOX15ALOX12
SCHEMBL2785384 0.72 TP53 (0.49) TP53TSHRS1PR1SMN1; SMN2
SCHEMBL5792794 0.72 LDHA (0.58) TP53TSHRALOX15ALOX12LDHA
SCHEMBL27406562 0.71 LMNA (0.47) LDHA
SCHEMBL27406535 0.69 FFAR4 (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024338-A1 CARBIDOPA AND L-DOPA PRODRUGS AND METHODS OF USE ABBVIE INC (US) 2024-01-25 — — US disclosed
US-20180079762-A1 Carbidopa and L-Dopa Prodrugs and Methods of use ABBVIE INC. (US) 2018-03-22 — — US disclosed
US-20160362431-A1 Carbidopa And L-Dopa Prodrugs And Methods Of Use ABBVIE INC. 2016-12-15 — — US disclosed
US-9446059-B2 Carbidopa and L-dopa prodrugs and methods of use ABBVIE INC. (US) 2016-09-20 — — US disclosed
US-20160106765-A1 Carbidopa and L-Dopa Prodrugs and Methods of Use ABBVIE INC. 2016-04-21 — — 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 (4 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-20160362431-A1 Carbidopa And L-Dopa Prodrugs And Methods Of Use COMT, SNCA, PARK7 TP53 1495/4885TSHR 1816/4885S1PR2 1871/4885
US-20160106765-A1 Carbidopa and L-Dopa Prodrugs and Methods of Use COMT, SNCA, PARK7 TP53 1495/4885TSHR 1816/4885S1PR2 1871/4885
US-20240024338-A1 CARBIDOPA AND L-DOPA PRODRUGS AND METHODS OF USE COMT, SNCA, PARK7 TP53 1495/4885TSHR 1816/4885S1PR2 1871/4885
US-20180079762-A1 Carbidopa and L-Dopa Prodrugs and Methods of use COMT, SNCA, PARK7 TP53 1495/4885TSHR 1816/4885S1PR2 1871/4885

“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.

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