SCHEMBL688129

SCHEMBL688129

COc1ccc(Br)cc1OCCCBr

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLAU P00749 1/20 0.46
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PRSS1 P07477 3/20 0.41
SMPD1 P17405 4/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL30395261 0.89 HPGD (0.40) MAPTL3MBTL1TDP1HPGDNPC1
SCHEMBL19897798 0.89 HPGD (0.40) MAPTL3MBTL1TDP1HPGDNPC1
SCHEMBL29521181 0.86 MAPT (0.50) MAPTL3MBTL1TDP1HPGDNPC1
SCHEMBL10080322 0.86 SMN1; SMN2 (0.52) MAPTL3MBTL1TDP1HPGDNPC1
SCHEMBL842107 0.86 MAPT (0.50) MAPTL3MBTL1TDP1HPGDNPC1
SCHEMBL31096063 0.84 HTR2A (0.50) MAPTL3MBTL1TDP1HPGDNPC1
SCHEMBL21287793 0.84 TUBB1 (0.56) MAPTL3MBTL1TDP1HPGDNPC1
SCHEMBL21823676 0.84 HTR2A (0.50) MAPTL3MBTL1TDP1HPGDNPC1
SCHEMBL425797 0.84 FBP1 (0.48) MAPTL3MBTL1TDP1HPGDNPC1
SCHEMBL21823421 0.84 HPGD (0.55) MAPTL3MBTL1TDP1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622860-B1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORs NOVARTIS AG (CH) 2012-02-29 EP disclosed
US-7625950-B2 Mono phosphoric acid mono-{2-amino-2-hydroxymethyl-4-[4-(3-phenoxy-propoxy)-phenyl]-butyl} ester; treatment, prevention of diseases or disorders mediated by lymphocytes interactions in transplantation; anticarcinogenic agent, antiinflammatory agent, antiproliferative agent, antidiabetic agent NOVARTIS AG (CH) 2009-12-01 US disclosed
US-20060211658-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2006-09-21 US disclosed
EP-1622860-A1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATOR Novartis AG (CH) 2006-02-08 EP disclosed
WO-2004096752-A1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATOR NOVARTIS AG (CH) 2004-11-11 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-20060211658-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator S1PR1, S1PR3, S1PR2 MAPT 3679/4885L3MBTL1 3799/4885TDP1 3050/4885

“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.