SCHEMBL3775783

SCHEMBL3775783

C#CCOC(=O)CCCCCBr

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.50
EPHX2 P34913 1/20 0.47
TSHR P16473 3/20 0.40
DGKA P23743 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PAM P19021 2/20 0.36
NPC1 O15118 1/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL19086174 1.00 GSTP1 (0.56) GSTP1L3MBTL1EPHX2TSHRDGKA
SCHEMBL10011215 0.92 GSTP1 (0.62) GSTP1L3MBTL1EPHX2TSHRDGKA
SCHEMBL11538420 0.92 GSTP1 (0.62) GSTP1L3MBTL1EPHX2TSHRDGKA
SCHEMBL11538433 0.92 GSTP1 (0.62) GSTP1L3MBTL1EPHX2TSHRDGKA
SCHEMBL1482992 0.89 GSTP1 (0.65) GSTP1L3MBTL1EPHX2TSHRDGKA
SCHEMBL10011454 0.85 GSTP1 (0.59) GSTP1L3MBTL1EPHX2TSHRDGKA
SCHEMBL10476495 0.84 GSTP1 (0.56) GSTP1L3MBTL1EPHX2TSHRALDH1A1
SCHEMBL7637894 0.82 L3MBTL1 (0.69) GSTP1L3MBTL1TSHRDGKAALDH1A1
SCHEMBL10012282 0.82 GSTP1 (0.54) GSTP1L3MBTL1EPHX2TSHRDGKA
SCHEMBL3962198 0.82 L3MBTL1 (0.69) GSTP1L3MBTL1TSHRDGKAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507572-B2 Functionalization of organic surfaces THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-08-13 US disclosed
US-8507572-B2 Functionalization of organic surfaces THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-08-13 US disclosed
US-8507572-B2 Functionalization of organic surfaces THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-08-13 US disclosed
US-20130053607-A1 METHOD FOR PRODUCING A RADIOACTIVE TRACER POLYINTELL (FR) 2013-02-28 US disclosed
US-20130053607-A1 METHOD FOR PRODUCING A RADIOACTIVE TRACER POLYINTELL (FR) 2013-02-28 US disclosed
US-20130053607-A1 METHOD FOR PRODUCING A RADIOACTIVE TRACER POLYINTELL (FR) 2013-02-28 US disclosed
US-20100331441-A1 FUNCTIONALIZATION OF ORGANIC SURFACES COLUMBIA UNIVERSITY (US) 2010-12-30 US disclosed
US-20100331441-A1 FUNCTIONALIZATION OF ORGANIC SURFACES COLUMBIA UNIVERSITY (US) 2010-12-30 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 (2 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-20100331441-A1 FUNCTIONALIZATION OF ORGANIC SURFACES EPCAM, CD44, ILK GSTP1 694/4885L3MBTL1 1484/4885EPHX2 138/4885
US-20130053607-A1 METHOD FOR PRODUCING A RADIOACTIVE TRACER PFAS, METTL3, FLI1 GSTP1 2172/4885L3MBTL1 1774/4885EPHX2 2792/4885

“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.