SCHEMBL4980978

SCHEMBL4980978

Nc1ccc(Oc2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.77
TDP1 Q9NUW8 4/20 0.71
CYP3A4 P08684 3/20 0.71
HSD17B10 Q99714 2/20 0.71
TAAR1 Q96RJ0 1/20 0.71
ALDH1A1 P00352 8/20 0.67
TSHR P16473 2/20 0.67
NCOA1 Q15788 1/20 0.62
NCOA3 Q9Y6Q9 1/20 0.62
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
NLRP3 Q96P20 1/20 0.61
MAPT P10636 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MITF O75030 1/20 0.58
GAA P10253 1/20 0.58
GFER P55789 1/20 0.58
NLRP1 Q9C000 1/20 0.58

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
Biphenyl-4-Amine SCHEMBL28258675 1.00 MAOA (0.77) MAOATDP1CYP3A4HSD17B10TAAR1
SCHEMBL553858 1.00 MAOA (0.77) MAOATDP1CYP3A4HSD17B10TAAR1
Biphenyl SCHEMBL20395915 1.00 MAOA (0.77) MAOATDP1CYP3A4HSD17B10TAAR1
SCHEMBL3786209 0.95 MAOA (0.86) MAOATDP1CYP3A4HSD17B10TAAR1
Benzidine SCHEMBL29023708 0.95 MAOA (0.86) MAOATDP1CYP3A4HSD17B10TAAR1
SCHEMBL3482671 0.90 ALDH1A1 (0.82) MAOATDP1CYP3A4HSD17B10TAAR1
SCHEMBL1271568 0.90 ALDH1A1 (0.82) MAOATDP1CYP3A4HSD17B10TAAR1
SCHEMBL3482529 0.90 ALDH1A1 (0.82) MAOATDP1CYP3A4HSD17B10TAAR1
SCHEMBL7144807 0.90 ALDH1A1 (0.82) MAOATDP1CYP3A4HSD17B10TAAR1
SCHEMBL12098596 0.90 ALDH1A1 (0.82) MAOATDP1CYP3A4HSD17B10TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
WO-2007092190-A2 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY PRAECIS PHARMACEUTICALS, INC. (US) 2007-08-16 WO disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2006-10-05 US disclosed
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHAMACEUTICALS, INC. (US) 2006-06-22 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 (3 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-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 MAOA 3519/4885TDP1 2972/4885CYP3A4 4654/4885
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 MAOA 3519/4885TDP1 2972/4885CYP3A4 4654/4885
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 MAOA 3519/4885TDP1 2972/4885CYP3A4 4654/4885

“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.