SCHEMBL12705407

SCHEMBL12705407

CC(C(=O)OCC(=O)OC12CC3CC(C1)C(=O)C(C3)C2)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP19A1 P11511 3/20 0.34
EPHX2 P34913 1/20 0.33
CYP17A1 P05093 2/20 0.33
NAAA Q02083 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
SCHEMBL12705221 0.87 TSHR (0.50) TSHRNPSR1CYP19A1EPHX2CYP17A1
SCHEMBL12705406 0.86 TSHR (0.56) TSHRNPSR1CYP19A1EPHX2CYP17A1
SCHEMBL685278 0.84 TSHR (0.56) TSHRNPSR1CYP19A1EPHX2CYP17A1
SCHEMBL12705402 0.84 TSHR (0.59) TSHRNPSR1CYP19A1EPHX2CYP17A1
SCHEMBL686013 0.83 TSHR (0.55) TSHRNPSR1CYP19A1EPHX2CYP17A1
SCHEMBL686163 0.81 TSHR (0.53) TSHRNPSR1CYP19A1EPHX2CYP17A1
SCHEMBL2605905 0.79 TSHR (0.53) TSHRNPSR1CYP19A1EPHX2CYP17A1
SCHEMBL14727733 0.79 TSHR (0.46) TSHRNPSR1
SCHEMBL12914632 0.78 TSHR (0.58) TSHRNPSR1CYP19A1EPHX2CYP17A1
SCHEMBL17734174 0.77 CYP19A1 (0.32) TSHRNPSR1CYP19A1CYP17A1

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-20110091808-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-21 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-20110091808-A1 PHOTORESIST COMPOSITION ASIC1, ASIC3, SUN2 TSHR 4266/4885NPSR1 1095/4885CYP19A1 4371/4885

“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.