SCHEMBL13779285

SCHEMBL13779285

CCC(c1cccc(C=O)c1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UNG P13051 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOA P21397 6/20 0.34
MAOB P27338 6/20 0.34
PTGER4 P35408 1/20 0.33
EGFR P00533 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2A6 P11509 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL13778932 0.81 F10 (0.37) UNGALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL4099672 0.76 HDAC4 (0.53) UNGALDH1A1MAOAMAOBNPC1
SCHEMBL14233500 0.76 PTPN5 (0.39) ALDH1A1MEN1CYP1A2POLBCYP3A4
SCHEMBL14231960 0.75 ALDH1A1 (0.41) UNGALDH1A1MAOAMAOBNPC1
SCHEMBL10490641 0.75 ALDH1A1 (0.41) UNGALDH1A1MAOAMAOBPTGER4
SCHEMBL5700800 0.73 LMNA (0.46) ALDH1A1MEN1CYP1A2POLBCYP3A4
SCHEMBL663468 0.72 MAOA (0.41) UNGALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL22357536 0.72 PTGS1 (0.56) ALDH1A1MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL17760485 0.72 CA2 (0.47)
SCHEMBL727874 0.71 TYR (0.56) UNGALDH1A1CYP3A4SMN1; SMN2MAOA

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-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2009-07-02 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-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 UNG 3233/4885ALDH1A1 336/4885MEN1 4617/4885

“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.