SCHEMBL663178

SCHEMBL663178

O=C(OCc1ccccc1)c1ccc(O)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.55
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
EGFR P00533 1/20 0.48
AKR1B1 P15121 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HSP90AA1 P07900 1/20 0.43
SERPINE1 P05121 1/20 0.43
ESRRG P62508 1/20 0.43

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
SCHEMBL663577 0.87 ALDH1A1 (0.51) TDP1ALDH1A1LMNASLC6A2SLC6A3
SCHEMBL20841682 0.86 ALDH1A1 (0.50) TDP1ALDH1A1LMNASLC6A2SLC6A3
SCHEMBL16127475 0.85 ALDH1A1 (0.63) TDP1ALDH1A1LMNASLC6A2SLC6A3
SCHEMBL23155481 0.82 PTPN1 (0.47) TDP1ALDH1A1LMNASLC6A2SLC6A3
SCHEMBL1548979 0.82 ALDH1A1 (0.67) TDP1ALDH1A1LMNASLC6A2SLC6A3
SCHEMBL5191638 0.81 TDP1 (0.45) TDP1ALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL6832741 0.81 TDP1 (0.59) TDP1ALDH1A1LMNASLC6A2SLC6A3
SCHEMBL30141159 0.81 RXRA (0.51) TDP1ALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL24983701 0.81 RXRA (0.51) TDP1ALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL4758455 0.80 TDP1 (0.73) TDP1ALDH1A1LMNASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119758648-A Nonlinear perfect vector beam generating element, preparation method and application 南京大学 2025-04-04 CN disclosed
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 TDP1 2744/4885ALDH1A1 963/4885LMNA 2889/4885

“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.