SCHEMBL12646401

SCHEMBL12646401

COC(=O)C1CC1c1ccc(-c2ccc(C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ SLC6A2 P23975 6/20 0.54
▸ SLC6A4 P31645 4/20 0.54
▸ FFAR1 O14842 1/20 0.51
▸ SLC6A3 Q01959 6/20 0.50

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
SCHEMBL14097153 0.95 ALDH1A1 (0.63) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1550973 0.86 FFAR1 (0.71) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12646508 0.86 SLC6A2 (0.53) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12646402 0.81 FFAR1 (0.73) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15430483 0.81 DEGS1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16229142 0.81 DEGS1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1100407 0.81 DEGS1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15430481 0.81 DEGS1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12577484 0.81 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14079555 0.81 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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-20110152315-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES SYDDANSK UNIVERSITET 2011-06-23 — — 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-20110152315-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES GPR119, INSR, GPR65 ALDH1A1 2024/4885CYP1A2 1826/4885CYP3A4 1558/4885

“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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