SCHEMBL6448200

SCHEMBL6448200

O=C(NCCc1ccccc1)[C@@]1(C(F)(F)F)CO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
EPHX1 P07099 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MLYCD O95822 2/20 0.49
PLAAT3 P53816 2/20 0.49
PLAAT5 Q96KN8 2/20 0.49
PLAAT2 Q9NWW9 2/20 0.49
PLAAT4 Q9UL19 2/20 0.49
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.47
HDAC3 O15379 1/20 0.46

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
SCHEMBL6449558 0.85 MEN1 (0.56) RAB9AALDH1A1HPGDSMN1; SMN2EPHX1
SCHEMBL6451365 0.73 HCAR2 (0.44) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL6451371 0.73 HCAR2 (0.44) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL7858 0.73 KDM4E (0.69) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL3833319 0.73 MLYCD (0.62) NPC1RAB9AALDH1A1EPHX1MLYCD
Hydrochloric Acid SCHEMBL31736052 0.72 KDM4E (0.67) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL28863035 0.72 EPHX1 (0.56) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL6446980 0.72 HTT (0.45) ALDH1A1EPHX1TDP1
SCHEMBL7762748 0.71 HDAC3 (0.49) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL17923794 0.71 GAA (0.52) NPC1RAB9AALDH1A1HPGDSMN1; SMN2

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
US-6921832-B2 Optically active fluorine-containing compounds and processes for their production TOSOH CORPORATION (JP) 2005-07-26 US disclosed
US-20040147756-A1 Optically active fluorine-containing compounds and processes for their production TOSOH CORPORATION (JP) 2004-07-29 US disclosed
EP-1422226-A1 Optically active fluorine-containing compounds and processes for their production Tosoh Corporation (JP) 2004-05-26 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-20040147756-A1 Optically active fluorine-containing compounds and processes for their production CYP2C19, CYP2F1, CYP2B6 NPC1 399/4885RAB9A 465/4885ALDH1A1 898/4885

“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.