SCHEMBL16489153

SCHEMBL16489153

CCCc1c(C)cc2c(c1C)C(=O)C(C)C2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.53
BACE1 P56817 2/20 0.53
MAOA P21397 2/20 0.34
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A2 O94788 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 1/20 0.30
ALDH1B1 P30837 1/20 0.30
ALDH1A3 P47895 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
SCHEMBL29507295 0.88 ACHE (0.53) ACHEBACE1
SCHEMBL16469274 0.87 ACHE (0.57) ACHEBACE1ALDH1A1
SCHEMBL30011553 0.87 ACHE (0.57) ACHEBACE1ALDH1A1
SCHEMBL29717643 0.87 ACHE (0.57) ACHEBACE1ALDH1A1
SCHEMBL16489154 0.81 ACHE (0.40) ACHEBACE1MAOAALDH1A2ALDH1A1
SCHEMBL7581528 0.79 ACHE (0.47) ACHEBACE1
SCHEMBL29717549 0.72 ACHE (0.45) ACHEBACE1MAOAALDH1A1
SCHEMBL29587810 0.72 ACHE (0.45) ACHEBACE1MAOAALDH1A1
SCHEMBL4192027 0.71 ACHE (0.44) ACHEBACE1MAOA
SCHEMBL29717630 0.71 ACHE (1.00) ACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9668985-B2 Pterosin derivative-containing therapeutic preparation for disease associated with cartilage loss, cartilage degeneration and/or cartilage thinning KYOTO UNIVERSITY (JP) 2017-06-06 US disclosed
US-20150051293-A1 PTEROSIN DERIVATIVE-CONTAINING THERAPEUTIC PREPARATION FOR DISEASE ASSOCIATED WITH CARTILAGE LOSS, CARTILAGE DEGENERATION AND/OR CARTILAGE THINNING KYOTO UNIVERSITY (JP) 2015-02-19 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-20150051293-A1 PTEROSIN DERIVATIVE-CONTAINING THERAPEUTIC PREPARATION FOR DISEASE ASSOCIATED WITH CARTILAGE LOSS, CARTILAGE DEGENERATION AND/OR CARTILAGE THINNING SYVN1, ADAMTS5, ADAMTS1 ACHE 4558/4885BACE1 4867/4885MAOA 3974/4885

“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.