SCHEMBL10001855

SCHEMBL10001855

Cc1cc(OCC2CO2)cc2c(=O)c3ccccc3sc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MAPT P10636 5/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 2/20 0.53
HCRTR1 O43613 1/20 0.53
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 3/20 0.43
TSHR P16473 3/20 0.43
HIF1A Q16665 2/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLA P06280 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL10001850 0.87 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL8673986 0.83 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1LMNAHCRTR1
SCHEMBL31120523 0.83 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1LMNAHCRTR1
SCHEMBL31120491 0.81 ALDH1A1 (0.50) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL13066070 0.79 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL1042693 0.79 ALDH1A1 (0.65) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL31120510 0.78 ALDH1A1 (0.48) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL27532271 0.78 ALDH1A1 (0.48) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL27541106 0.78 ALDH1A1 (0.48) ALDH1A1MAPTL3MBTL1LMNAPOLB
Methane SCHEMBL27541108 0.77 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118732123-A Optical laminate 住友化学株式会社 2024-10-01 CN disclosed
US-20120046377-A1 Photoinitiators SIEGWERK BENELUX SA (BG) 2012-02-23 US disclosed
US-20120046377-A1 Photoinitiators SIEGWERK BENELUX SA (BG) 2012-02-23 US disclosed
WO-2010124950-A1 NEW PHOTOINITIATORS SIEGWERK BENELUX SA (BE) 2010-11-04 WO disclosed
EP-2246330-A1 New photoinitiators Siegwerk Benelux SA (BE) 2010-11-03 EP 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-20120046377-A1 Photoinitiators PPOX, AAAS, CRY1 ALDH1A1 1047/4885MAPT 174/4885L3MBTL1 2249/4885

“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.