SCHEMBL3815690

SCHEMBL3815690

CCC(=O)c1cc(F)c(OCc2ccccc2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 2/20 0.56
HPGD P15428 2/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 1/20 0.50
GLRA1 P23415 1/20 0.47
BRD4 O60885 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
MAOB P27338 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL4616306 0.95 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AHPGDNPC1ALDH1A1
SCHEMBL15969027 0.84 MEN1 (0.63) HPGDLMNATHRATHRBFFAR4
SCHEMBL6811950 0.84 SMN1; SMN2 (0.57) SMN1; SMN2RAB9AHPGDNPC1ALDH1A1
SCHEMBL19124684 0.82 LMNA (0.74) SMN1; SMN2RAB9AHPGDNPC1ALDH1A1
SCHEMBL25922476 0.82 GLRA1 (0.63) SMN1; SMN2RAB9AHPGDNPC1ALDH1A1
SCHEMBL8843690 0.81 SMN1; SMN2 (0.73) SMN1; SMN2RAB9AHPGDNPC1ALDH1A1
SCHEMBL10770964 0.80 MEN1 (0.71) SMN1; SMN2RAB9AHPGDNPC1ALDH1A1
SCHEMBL7809050 0.80 KMT2A (0.57) SMN1; SMN2RAB9AHPGDNPC1ALDH1A1
SCHEMBL13064649 0.79 TSHR (0.43) SMN1; SMN2HPGDALDH1A1MAPTGAA
SCHEMBL3813157 0.79 GLRA1 (0.50) SMN1; SMN2HPGDLMNAGLRA1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718617-B1 3-SUBSTITUTED 1,5-DIPHENYLPYRAZOLE DERIVATIVES USEFUL AS CB1 MODULATORS ASTRAZENECA AB (SE) 2009-08-19 EP disclosed
US-20090149463-A1 Therapeutic agents CHENG LEIFENG 2009-06-11 US disclosed
EP-0828513-B1 COMBINATIONS FOR THE TREATMENT OF PARKINSONISM CONTAINING SELECTIVE NMDA ANTAGONISTS PFIZER (US) 2004-01-21 EP disclosed
EP-0777652-B1 NEUROPROTECTIVE 3-(PIPERIDINYL-1)-CHROMAN-4,7-DIOL AND 1-(4-HYDROPHENYL)-2-(PIPERIDINYL-1)-ALKANOL DERIVATIVES PFIZER (US) 2003-06-25 EP disclosed
US-6258827-B1 HYDROXYAROMATIC HETEROCYCLIC ALKANOLS AND LEVODOPA PFIZER INC. 2001-07-10 US disclosed
US-6046213-A Neuroprotective 3-(piperidinyl-1)-chroman-4,7-diol and 1-(4-hydroxyphenyl)-2-(piperidinyl-1)-alkanol derivatives PFIZER INC. (US) 2000-04-04 US disclosed
EP-0828513-A2 COMBINATIONS FOR THE TREATMENT OF PARKINSONISM CONTAINING SELECTIVE NMDA ANTAGONISTS PFIZER INC. (US) 1998-03-18 EP disclosed
EP-0777652-A1 NEUROPROTECTIVE 3-(PIPERIDINYL-1)-CHROMAN-4,7-DIOL AND 1-(4-HYDROPHENYL)-2-(PIPERIDINYL-1)-ALKANOL DERIVATIVES PFIZER INC. (US) 1997-06-11 EP disclosed
WO-1996037226-A2 COMBINATIONS FOR THE TREATMENT OF PARKINSONISM CONTAINING SELECTIVE NMDA ANTAGONISTS PFIZER INC. (US) 1996-11-28 WO disclosed
WO-1996006081-A1 NEUROPROTECTIVE 3-(PIPERIDINYL-1)-CHROMAN-4,7-DIOL AND 1-(4-HYDROPHENYL)-2-(PIPERIDINYL-1)-ALKANOL DERIVATIVES PFIZER INC. (US) 1996-02-29 WO 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-20090149463-A1 Therapeutic agents NLN, BDNF, GAP43 SMN1; SMN2 168/4885RAB9A 1816/4885HPGD 922/4885

“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.