SCHEMBL17693594

SCHEMBL17693594

Cc1cc(CC(C)C=O)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.53
▸ ESR2 Q92731 2/20 0.53
▸ TP53 P04637 4/20 0.49
▸ TSHR P16473 1/20 0.49
▸ ALOX15 P16050 4/20 0.46
▸ ALOX12 P18054 4/20 0.46
▸ NR3C1 P04150 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ RECQL P46063 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ PGR P06401 2/20 0.46
▸ FOS P01100 2/20 0.46
▸ TTR P02766 2/20 0.46

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
SCHEMBL29781139 0.84 TP53 (0.53) ESR1TP53TSHRALOX15ALOX12
SCHEMBL25395008 0.84 TP53 (0.53) ESR1TP53TSHRALOX15ALOX12
SCHEMBL3960388 0.80 GABRA1 (0.66) ESR1ESR2TP53ALOX15ALOX12
SCHEMBL2785384 0.79 TP53 (0.49) TP53TSHRMEN1ALDH1A1KMT2A
SCHEMBL5793231 0.79 FOS (0.69) TSHRALOX15ALOX12NR3C1ALDH1A1
SCHEMBL25662399 0.79 ESR1 (0.53) ESR1ESR2TP53ALOX15ALOX12
SCHEMBL14084571 0.78 ESR1 (0.61) ESR1ESR2TP53ALOX15ALOX12
SCHEMBL7644614 0.77 TP53 (0.46) TP53TSHRALOX15ALOX12NR3C1
SCHEMBL17693655 0.77 ALOX15 (0.60) ESR1ESR2TP53ALOX15ALOX12
SCHEMBL14501340 0.76 ESR1 (0.53) ESR1ESR2TP53ALOX15ALOX12

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 ESR1 4081/4885ESR2 4522/4885TP53 1495/4885
US-20160106765-A1 Carbidopa and L-Dopa Prodrugs and Methods of Use COMT, SNCA, PARK7 ESR1 4081/4885ESR2 4522/4885TP53 1495/4885
US-20240024338-A1 CARBIDOPA AND L-DOPA PRODRUGS AND METHODS OF USE COMT, SNCA, PARK7 ESR1 4081/4885ESR2 4522/4885TP53 1495/4885
US-20180079762-A1 Carbidopa and L-Dopa Prodrugs and Methods of use COMT, SNCA, PARK7 ESR1 4081/4885ESR2 4522/4885TP53 1495/4885

“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.

Send feedback