SCHEMBL17378166

SCHEMBL17378166

Nc1ccc(C2(c3ccc(N)cc3)OCCO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
CYP26A1 O43174 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
KDM4E B2RXH2 1/20 0.35
OPRK1 P41145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 3/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP19A1 P11511 5/20 0.34
NSD2 O96028 1/20 0.34
POLB P06746 1/20 0.33
ALOX15 P16050 2/20 0.32

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
SCHEMBL3884112 0.76 CYP19A1 (0.40) ALDH1A1L3MBTL1MEN1MAPTKMT2A
SCHEMBL8935135 0.76 ALDH1A1 (0.40) ALDH1A1L3MBTL1MEN1MAPTKMT2A
SCHEMBL6437554 0.75 CYP2A6 (0.40) ALDH1A1CYP26A1RXRARXRBCYP26B1
SCHEMBL15874310 0.75 KMT2A (0.43) L3MBTL1MEN1KMT2ALMNACYP26A1
SCHEMBL235335 0.75 ESR2 (0.44) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL15908233 0.75 MAOB (0.40) L3MBTL1KMT2ACYP26A1RXRARXRB
SCHEMBL15874277 0.75 CHEK2 (0.43) ALDH1A1MAPTKMT2ALMNACYP26A1
SCHEMBL16200811 0.75 POLB (0.41) ALDH1A1MEN1KMT2ALMNACYP26A1
SCHEMBL1256099 0.74 CHEK2 (0.39) ALDH1A1L3MBTL1CYP26A1RXRARXRB
SCHEMBL11700084 0.72 CYP26A1 (0.41) MEN1KMT2ACYP26A1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9553326-B2 Aromatic sulfonic acid derivative, sulfonic acid group-containing polymer, block copolymer, polymer electrolyte material, polymer electrolyte form article, and polymer electrolyte fuel cell TORAY INDUSTRIES, INC. (JP) 2017-01-24 US disclosed
US-20150380759-A1 AROMATIC SULFONIC ACID DERIVATIVE, SULFONIC ACID GROUP-CONTAINING POLYMER, BLOCK COPOLYMER, POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE FORM ARTICLE, AND POLYMER ELECTROLYTE FUEL CELL TORAY INDUSTRIES, INC. 2015-12-31 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-20150380759-A1 AROMATIC SULFONIC ACID DERIVATIVE, SULFONIC ACID GROUP-CONTAINING POLYMER, BLOCK COPOLYMER, POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE FORM ARTICLE, AND POLYMER ELECTROLYTE FUEL CELL PAH, SMCHD1, ASIC1 ALDH1A1 1513/4885L3MBTL1 4816/4885MEN1 4049/4885

“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.