SCHEMBL16208993

SCHEMBL16208993

COC(=O)c1cccc(O)c1C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
LMNA P02545 1/20 0.61
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
CA9 Q16790 5/20 0.55
CA12 O43570 4/20 0.55
CA7 P43166 4/20 0.55
CA14 Q9ULX7 4/20 0.55
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
CFTR P13569 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
CA5A P35218 1/20 0.45
KDM4E B2RXH2 4/20 0.44
ATM Q13315 2/20 0.44
POLB P06746 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
GAA P10253 3/20 0.43

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
SCHEMBL8894564 0.84 CA1 (0.50) TSHRLMNACA1CA2CA9
SCHEMBL7937960 0.82 LMNA (0.53) TSHRLMNACA1CA2CA9
SCHEMBL7791811 0.82 KDM4E (0.50) TSHRLMNACA1CA2CA9
SCHEMBL4316926 0.81 CA12 (0.59) TSHRCA1CA2CA9CA12
SCHEMBL5230216 0.79 ALDH1A1 (0.54) LMNACA1CA2CA9CA12
SCHEMBL13773187 0.79 THRB (0.48) TSHRLMNACA1CA2CA9
SCHEMBL24425087 0.79 TSHR (0.44) TSHRLMNACA1CA2CA9
SCHEMBL14084358 0.79 PLK1 (0.47) TSHRLMNACA1CA2CA9
Methyl Salicylate SCHEMBL28507609 0.78 LMNA (0.85) TSHRLMNACA1CA2CA9
SCHEMBL6951207 0.78 KDM4E (0.55) TSHRLMNACA1CA2CA9

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-20140329178-A1 CYCLIC COMPOUND, METHOD FOR PRODUCING THE SAME, RADIATION-SENSITIVE COMPOSITION, AND RESIST PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY,INC (JP) 2014-11-06 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-20140329178-A1 CYCLIC COMPOUND, METHOD FOR PRODUCING THE SAME, RADIATION-SENSITIVE COMPOSITION, AND RESIST PATTERN FORMATION METHOD SLC11A2, MRE11, RAD51 TSHR 3518/4885LMNA 1594/4885CA1 470/4885

“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.