SCHEMBL4859943

SCHEMBL4859943

CC(F)(C(F)(F)F)C(F)(F)c1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.53
EPHX2 P34913 3/20 0.50
NR1H4 Q96RI1 3/20 0.50
RARB P10826 1/20 0.49
RARG P13631 1/20 0.49
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
RXRA P19793 3/20 0.44
RXRB P28702 3/20 0.44
RXRG P48443 2/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
NR4A2 P43354 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL9178487 0.84 SRD5A2 (0.57) SRD5A2EPHX2NR1H4RARBRARG
SCHEMBL4861421 0.84 SRD5A2 (0.57) SRD5A2EPHX2NR1H4RARBRARG
SCHEMBL3241556 0.84 SRD5A2 (0.61) SRD5A2EPHX2RARBRARGTP53
SCHEMBL18130711 0.80 SRD5A2 (0.57) SRD5A2EPHX2NR1H4RARBRARG
SCHEMBL10013563 0.80 SRD5A2 (0.57) SRD5A2EPHX2NR1H4RARBRARG
SCHEMBL4131036 0.79 SRD5A2 (0.61) SRD5A2EPHX2NR1H4RARBRARG
SCHEMBL16429445 0.79 SRD5A2 (0.61) SRD5A2EPHX2RARBRARGTP53
SCHEMBL107327 0.79 SRD5A2 (0.61) SRD5A2EPHX2NR1H4RARBRARG
SCHEMBL30144875 0.79 SRD5A2 (0.61) SRD5A2EPHX2RARBRARGTP53
SCHEMBL2058451 0.78 SRD5A2 (0.55) SRD5A2EPHX2RARBRARGTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100545140-C High-purity (fluoroalkyl) benzene derivative and preparation method thereof MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-30 CN disclosed
US-7405331-B2 High-purity (fluoroalkyl)benzene derivative and process for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-07-29 US disclosed
US-20060167324-A1 High-purity (fluoroalkyl)benzene derivative and process for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-07-27 US disclosed
CN-1653029-A High-purity (fluoroalkyl) benzene derivative and preparation method thereof MITSUBISHI GAS CHEMICAL CO (JP) 2005-08-10 CN disclosed
EP-1500641-A1 HIGH-PURITY (FLUOROALKYL)BENZENE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-01-26 EP 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-20060167324-A1 High-purity (fluoroalkyl)benzene derivative and process for producing the same HBB, AFF4, AFF2 SRD5A2 2791/4885EPHX2 308/4885NR1H4 1663/4885

“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.