SCHEMBL19914976

SCHEMBL19914976

CC(=O)C[C@H]1CC[C@@H](O)C1COCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
ACHE P22303 2/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
BRD4 O60885 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
TEAD3 Q99594 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
SCHEMBL10799686 0.87 ACHE (0.40) ACHE
SCHEMBL19914968 0.87 ACHE (0.40) ACHE
SCHEMBL19920828 0.87 ACHE (0.40) ACHE
SCHEMBL880187 0.81 TSHR (0.50) ACHELMNATSHRCTSLCTSB
SCHEMBL18516986 0.81 TSHR (0.50) ACHELMNATSHRCTSLCTSB
SCHEMBL11537309 0.81 SCN9A (0.40) ALDH1A1ACHELMNATSHRCTSL
SCHEMBL11537312 0.81 SCN9A (0.40) ALDH1A1ACHELMNATSHRCTSL
SCHEMBL11537305 0.81 SCN9A (0.40) ALDH1A1ACHELMNATSHRCTSL
SCHEMBL10803209 0.79 PTPN1 (0.40) LMNATSHR
SCHEMBL11536019 0.77 LMNA (0.37) LMNATSHRCTSLCTSBCTSK

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-20180057440-A1 METHOD FOR SYNTHESIZING NOVEL COMPOUNDS DERIVED FROM 3-HYDROXY-CYCLOPENTYL ACETIC ACID L'OREAL (FR) 2018-03-01 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-20180057440-A1 METHOD FOR SYNTHESIZING NOVEL COMPOUNDS DERIVED FROM 3-HYDROXY-CYCLOPENTYL ACETIC ACID HSD17B12, FASN, AKR1C3 ALDH1A1 39/4885ACHE 3938/4885LMNA 2858/4885

“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.