SCHEMBL1021591

SCHEMBL1021591

O=C(OCC1CS1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA5 P30532 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.46
MEN1 O00255 1/20 0.45
ATM Q13315 1/20 0.45
F2 P00734 1/20 0.45
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
HPGD P15428 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
SCHEMBL19841763 0.82 CHRNB2 (0.51) TDP1KMT2AMAPK1HIF1ACHRNB2
SCHEMBL19841645 0.82 CHRNB2 (0.51) TDP1KMT2AMAPK1HIF1ACHRNB2
SCHEMBL8469278 0.81 TDP1 (0.50) TDP1KMT2AMAPK1HIF1ACHRNB2
SCHEMBL2734307 0.79 CA1 (0.43) TDP1KMT2AMAPK1ALDH1A1LMNA
SCHEMBL17041409 0.79 CHRNB2 (0.48) TDP1KMT2AMAPK1HIF1ACHRNB2
SCHEMBL19841685 0.79 CHRNB2 (0.51) TDP1KMT2AMAPK1HIF1ACHRNB2
SCHEMBL17041810 0.79 CHRNB2 (0.48) TDP1KMT2AMAPK1HIF1ACHRNB2
SCHEMBL532785 0.78 CARM1 (0.61) TDP1KMT2AMAPK1HIF1ACHRNB2
SCHEMBL13286850 0.78 PPM1B (0.56) TDP1KMT2AMAPK1HIF1ACHRNB2
SCHEMBL8447322 0.78 CARM1 (0.61) TDP1KMT2AMAPK1HIF1ACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1398317-B1 ALICYCLIC COMPOUND FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2011-01-12 EP disclosed
EP-1319966-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-05-26 EP disclosed
US-7301705-B2 Alicyclic compound for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-11-27 US disclosed
US-7183441-B2 Method for producing vicinal dithiol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-02-27 US disclosed
US-7009031-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2006-03-07 US disclosed
US-20050187413-A1 Method for producing vicinal dithiol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-08-25 US disclosed
EP-1564207-A1 Method for producing vicinal dithiol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-08-17 EP disclosed
US-20040158031-A1 Alicyclic compound for optical material MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2004-08-12 US disclosed
EP-1398317-A1 ALICYCLIC COMPOUND FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-03-17 EP disclosed
US-20040024165-A1 Composition for optical material MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2004-02-05 US disclosed
EP-1319966-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2003-06-18 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-20050187413-A1 Method for producing vicinal dithiol TST, STS, CTH TDP1 3996/4885KMT2A 3265/4885MAPK1 4259/4885

“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.