SCHEMBL7141606

SCHEMBL7141606

O=Cc1cccc(C(F)C(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
UNG P13051 1/20 0.41
CYP2A6 P11509 1/20 0.39
SRC P12931 1/20 0.37
DRD1 P21728 1/20 0.37
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
MAOA P21397 5/20 0.36
MAOB P27338 5/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
TYR P14679 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTGS2 P35354 1/20 0.33
RAB9A P51151 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL2263076 0.83 ALDH1A1 (0.48) ALDH1A1UNGCYP2A6SRCDRD1
SCHEMBL31124696 0.83 ALDH1A1 (0.48) ALDH1A1UNGCYP2A6SRCDRD1
SCHEMBL2536000 0.78 ALDH1A1 (0.48) ALDH1A1UNGCYP2A6SRCDRD1
SCHEMBL4950119 0.75 ALDH1A1 (0.48) ALDH1A1UNGCYP2A6SRCTRIM24
SCHEMBL2937253 0.75 ALDH1A1 (0.48) ALDH1A1UNGCYP2A6SRCTRIM24
SCHEMBL4073513 0.75 UNG (0.48) ALDH1A1UNGCYP2A6SRCTRIM24
SCHEMBL4951093 0.75 ALDH1A1 (0.54) ALDH1A1UNGCYP2A6SRCTRIM24
SCHEMBL727874 0.75 TYR (0.56) ALDH1A1UNGCYP2A6SRCTRIM24
SCHEMBL4952311 0.75 ALDH1A1 (0.48) ALDH1A1UNGCYP2A6SRCTRIM24
SCHEMBL4808239 0.75 ALDH1A1 (0.48) ALDH1A1UNGCYP2A6SRCTRIM24

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-6512030-B2 Plastic additives which are useful as nucleating agents and which are especially useful for improving the optical properties of polymeric materials such as polyolefins; also as gelling agents for antiperspirant gels MILLIKEN & COMPANY 2003-01-28 US disclosed
US-20020193473-A1 Novel asymmetric monofluorinated benzaldehyde alditol derivatives and compositions and articles containing same MILLIKEN & COMPANY 2002-12-19 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-20020193473-A1 Novel asymmetric monofluorinated benzaldehyde alditol derivatives and compositions and articles containing same DERA, ALDOA, SORD ALDH1A1 132/4885UNG 68/4885CYP2A6 3577/4885

“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.