SCHEMBL3701025

SCHEMBL3701025

CC(C)[C@H]1c2ccc(F)cc2C(F)(F)C[C@@]1(O)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 16/20 0.49
HSD11B1 P28845 3/20 0.36

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
SCHEMBL3701023 1.00 AKR1B1 (0.49) AKR1B1HSD11B1
SCHEMBL2381477 0.80 AKR1B1 (0.42) AKR1B1HSD11B1
SCHEMBL2381474 0.80 AKR1B1 (0.42) AKR1B1HSD11B1
SCHEMBL8358057 0.79 CYP3A4 (0.47) AKR1B1
SCHEMBL8638204 0.79 CYP3A4 (0.47) AKR1B1
SCHEMBL8358049 0.79 CYP3A4 (0.47) AKR1B1
SCHEMBL3697783 0.73 CYP3A4 (0.61)
SCHEMBL8713068 0.67 CYP3A4 (0.45)
SCHEMBL8637034 0.67 CYP3A4 (0.51)
SCHEMBL8635967 0.67 CYP3A4 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273009-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20140155444-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2014-06-05 US disclosed
US-8575361-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-11-05 US disclosed
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2012-05-17 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 (2 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-20140155444-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G AKR1B1 443/4885HSD11B1 677/4885
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G AKR1B1 443/4885HSD11B1 677/4885

“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.