SCHEMBL3146754

SCHEMBL3146754

CC(O)c1ccc(N)cc1.Nc1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
HSD17B10 Q99714 6/20 0.53
CYP2C9 P11712 4/20 0.53
CYP2C19 P33261 3/20 0.53
CYP2D6 P10635 1/20 0.53
GRM8 O00222 1/20 0.53
GRM6 O15303 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
DRD3 P35462 1/20 0.53
GRM4 Q14833 1/20 0.53
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 7/20 0.49
HPGD P15428 5/20 0.49
MAPT P10636 3/20 0.49
RECQL P46063 3/20 0.49
THRB P10828 2/20 0.49
CYP3A4 P08684 2/20 0.49

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
SCHEMBL9853831 0.82 HSD17B10 (0.58) TDP1MEN1KMT2AHSD17B10CYP2C9
SCHEMBL29364937 0.82 ALDH1A1 (0.68) TDP1MEN1KMT2AHSD17B10CYP2C9
SCHEMBL231377 0.82 ALDH1A1 (0.68) TDP1MEN1KMT2AHSD17B10CYP2C9
SCHEMBL28520448 0.80 ALDH1A1 (0.65) TDP1MEN1KMT2AHSD17B10CYP2C9
SCHEMBL2809853 0.80 ALDH1A1 (0.65) TDP1MEN1KMT2AHSD17B10CYP2C9
SCHEMBL2810654 0.80 ALDH1A1 (0.65) TDP1MEN1KMT2AHSD17B10CYP2C9
Nitrogen SCHEMBL28683357 0.78 ALDH1A1 (0.63) TDP1MEN1KMT2AHSD17B10CYP2C9
SCHEMBL12122146 0.78 NOS3 (0.50) TDP1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL56667 0.78 NOS3 (0.50) TDP1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL28038600 0.78 NOS3 (0.50) TDP1MEN1KMT2AHSD17B10ALDH1A1

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
EP-1799791-B1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2016-01-13 EP claimed
CN-101040028-B Photocrosslinkable materials ROLIC AG 2012-03-28 CN claimed
US-7687118-B2 Photocrosslinkable materials ROLIC AG (CH) 2010-03-30 US claimed
US-20080069968-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-03-20 US claimed
CN-101040028-A Photocrosslinkable materials ROLIC AG (CH) 2007-09-19 CN claimed
EP-1799791-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2007-06-27 EP claimed
WO-2006039824-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2006-04-20 WO claimed
EP-2152660-A2 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP Rolic AG (CH) 2010-02-17 EP disclosed
WO-2008145225-A2 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP ROLIC AG (CH) 2008-12-04 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-20080069968-A1 Photocrosslinkable Materials PARG, VSIR, IGLV6-57 TDP1 2088/4885MEN1 3530/4885KMT2A 558/4885

“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.