SCHEMBL4541125

SCHEMBL4541125

O=C(c1ccccc1)c1ccc(C=S)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
SRD5A2 P31213 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.52
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
RAB9A P51151 5/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
NPC1 O15118 4/20 0.48
HPGD P15428 4/20 0.48
ELANE P08246 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
TP53 P04637 1/20 0.44

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
SCHEMBL7506335 0.91 SRD5A2 (0.48) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL6050895 0.87 CES2 (0.65) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL15768763 0.82 ALDH1A1 (0.67) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL15768764 0.82 ALDH1A1 (0.67) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL8091784 0.81 SRD5A2 (0.57) ALDH1A1SRD5A2KMT2AHPGDELANE
SCHEMBL9066312 0.81 ALDH1A1 (0.93) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL314267 0.81 ALDH1A1 (0.93) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL1405641 0.80 HDAC1 (0.64) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL1047541 0.80 ALDH1A1 (0.64) ALDH1A1SRD5A2L3MBTL1ATMTDP1
SCHEMBL18678667 0.80 ALDH1A1 (0.64) ALDH1A1SRD5A2L3MBTL1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3369751-A1 NOVEL PHOTOINITIATORS Coloplast A/S (DK) 2018-09-05 EP disclosed
EP-2638076-B1 NOVEL PHOTOINITIATORS COLOPLAST AS (DK) 2018-03-28 EP disclosed
US-9399633-B2 Photoinitiators COLOPLAST A/S (DK) 2016-07-26 US disclosed
US-20160060243-A1 NOVEL PHOTOINITIATORS COLOPLAST A/S (DK) 2016-03-03 US disclosed
US-9212160-B2 Photoinitiators COLOPLAST A/S (DK) 2015-12-15 US disclosed
CN-103201296-B photoinitiator COLOPLAST AS 2015-04-29 CN disclosed
US-20150105565-A1 NOVEL PHOTOINITIATORS COLOPLAST A/S (DK) 2015-04-16 US disclosed
US-8946449-B2 Photoinitiators COLOPLAST A/S (DK) 2015-02-03 US disclosed
US-20130296577-A1 NOVEL PHOTOINITIATORS COLOPLAST A/S (DK) 2013-11-07 US disclosed
EP-2638076-A2 NOVEL PHOTOINITIATORS Coloplast A/S (DK) 2013-09-18 EP disclosed
CN-103201296-A Novel photoinitiators COLOPLAST AS 2013-07-10 CN disclosed
WO-2012062332-A2 NOVEL PHOTOINITIATORS COLOPLAST A/S (DK) 2012-05-18 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 (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-20130296577-A1 NOVEL PHOTOINITIATORS UROD, PUF60, PARG ALDH1A1 536/4885SRD5A2 3055/4885L3MBTL1 1092/4885
US-20160060243-A1 NOVEL PHOTOINITIATORS UROD, PUF60, PPOX ALDH1A1 240/4885SRD5A2 2594/4885L3MBTL1 1982/4885
US-20150105565-A1 NOVEL PHOTOINITIATORS UROD, PUF60, PPOX ALDH1A1 240/4885SRD5A2 2594/4885L3MBTL1 1982/4885

“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.