SCHEMBL12430464

SCHEMBL12430464

O=C(CF)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
KMO O15229 3/20 0.56
HSD11B1 P28845 1/20 0.51
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
SRD5A2 P31213 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
AGTR1 P30556 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL9618646 0.84 TSHR (0.43) TSHRKMOHSD11B1ALDH1A1POLB
SCHEMBL3502522 0.84 KCNQ3 (0.46) TSHRKMOHSD11B1
SCHEMBL9015106 0.83 TSHR (0.61) TSHRKMOHSD11B1HDAC3HDAC4
SCHEMBL2075296 0.82 CYP1A2 (0.51) TSHRKMOHDAC3HDAC4HDAC1
SCHEMBL1362599 0.81 TSHR (0.59) TSHRKMOHSD11B1HDAC3HDAC4
SCHEMBL5005689 0.81 GSK3B (0.59) TSHRKMOHSD11B1HDAC3HDAC4
SCHEMBL29836035 0.81 GSK3B (0.59) TSHRKMOHSD11B1HDAC3HDAC4
SCHEMBL23782396 0.80 KMO (0.49) TSHRKMOHSD11B1HDAC3HDAC4
SCHEMBL8286984 0.79 TSHR (0.57) TSHRKMOHSD11B1HDAC3HDAC4
SCHEMBL747018 0.79 KMO (0.59) TSHRKMOHSD11B1HDAC3HDAC4

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-1741693-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS NAGOYA IND SCIENCE RES INST (JP) 2011-08-03 EP disclosed
US-20070225528-A1 Process for Producing Optically Active Alcohol NAGOYA INDUSTRIAL SCIENCE RESEARCH CENTER (JP) 2007-09-27 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-20070225528-A1 Process for Producing Optically Active Alcohol ADH1C, ADH1A, ADH5 TSHR 2009/4885KMO 944/4885HSD11B1 184/4885

“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.