SCHEMBL14010060

SCHEMBL14010060

CCc1ccc(CC(=O)OC(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.70
CYP19A1 P11511 1/20 0.47
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
MEN1 O00255 1/20 0.45
CRHBP P24387 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR2 Q13324 1/20 0.45
POLB P06746 1/20 0.44
KLK7 P49862 4/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4901678 0.92 TSHR (0.81) TSHRCYP19A1CYP4F2CYP4A11MEN1
SCHEMBL9626909 0.85 TSHR (0.70) TSHRCYP19A1MEN1CRHBPKMT2A
SCHEMBL5175026 0.85 TSHR (0.76) TSHRCYP19A1MEN1CRHBPKMT2A
SCHEMBL10309729 0.85 TSHR (0.70) TSHRCYP19A1MEN1CRHBPKMT2A
SCHEMBL27455918 0.83 TSHR (0.68) TSHRCYP19A1MEN1CRHBPKMT2A
SCHEMBL29197989 0.83 TSHR (0.68) TSHRCYP19A1CYP4F2CYP4A11MEN1
SCHEMBL27255868 0.83 TSHR (0.68) TSHRCYP19A1MEN1CRHBPKMT2A
SCHEMBL10369206 0.83 TSHR (0.68) TSHRCYP19A1MEN1KMT2APOLB
SCHEMBL873430 0.82 TSHR (1.00) TSHRCYP19A1POLBKLK7ALDH1A1
SCHEMBL16346002 0.82 TSHR (0.62) TSHRCYP4F2CYP4A11MEN1KMT2A

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
EP-4326224-A1 COMPOSITION FOR TREATING A KERATINOUS SURFACE Givaudan SA (CH) 2024-02-28 EP disclosed
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections TARGANTA THERAPEUTICA INC. (CA) 2008-11-20 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-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections BPGM, PSPH, PGLS TSHR 4446/4885CYP19A1 3646/4885CYP4F2 2428/4885

“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.