SCHEMBL2058451

SCHEMBL2058451

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.55
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
EPHX2 P34913 1/20 0.44
CYP2C8 P10632 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
TYR P14679 1/20 0.41
DRD1 P21728 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 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
SCHEMBL2058690 0.98 SRD5A2 (0.53) SRD5A2TSHRTP53RXRARXRB
SCHEMBL8417608 0.98 SRD5A2 (0.53) SRD5A2TSHRTP53RXRARXRB
SCHEMBL30144875 0.94 SRD5A2 (0.61) SRD5A2TSHRTP53RXRARXRB
SCHEMBL30144881 0.92 SRD5A2 (0.59) SRD5A2TSHRTP53RXRARXRB
SCHEMBL21656836 0.90 PARP15 (0.50) SRD5A2TSHRRXRARXRBRXRG
SCHEMBL9800780 0.90 TPMT (0.55) SRD5A2TSHRTP53RXRARXRB
SCHEMBL16429445 0.90 SRD5A2 (0.61) SRD5A2TSHRTP53RXRARXRB
Perflubutane SCHEMBL28930534 0.87 TSHR (0.63) SRD5A2TSHRTP53RXRARXRB
SCHEMBL11055995 0.86 SRD5A2 (0.53) SRD5A2TSHRTP53RXRARXRB
SCHEMBL3241556 0.85 SRD5A2 (0.61) SRD5A2TSHRTP53RXRARXRB

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
US-7968608-B2 Perfluoroalkylated benzoate surfactants E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-28 US disclosed
US-20100243954-A1 PERFLUOROALKYLATED BENZOATE SURFACTANTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-30 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-20100243954-A1 PERFLUOROALKYLATED BENZOATE SURFACTANTS PFAS, EWSR1, PAOX SRD5A2 1160/4885TSHR 802/4885TP53 361/4885

“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.