SCHEMBL406319

SCHEMBL406319

C=CCN(CC=C)C(O)=S

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
CCR6 P51684 1/20 0.36
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
NSD2 O96028 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
TSHR P16473 1/20 0.30

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
Hydrochloric Acid SCHEMBL11628599 0.97 CYP1A2 (0.44) CYP1A2ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL30904 0.92 CYP1A2 (0.41) CYP1A2ALDH1A1SMN1; SMN2LMNAHPGD
Ammonia Solution, Strong SCHEMBL8733453 0.90 CYP1A2 (0.40) CYP1A2ALDH1A1SMN1; SMN2LMNAHPGD
Hydrochloric Acid SCHEMBL11788098 0.90 CYP1A2 (0.40) CYP1A2ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL2363225 0.90 CYP1A2 (0.40) CYP1A2ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL1484098 0.90 CYP1A2 (0.40) CYP1A2ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL8388878 0.79 CA12 (0.45) CYP1A2ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL4618339 0.79 ALDH1A1 (0.44) CYP1A2ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL8393427 0.75 CA12 (0.50) CYP1A2ALDH1A1TSHR
SCHEMBL8393428 0.75 CA12 (0.50) CYP1A2ALDH1A1TSHR

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 394 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111201302-B Semiconductor luminescent material 默克专利股份有限公司 2023-07-18 CN claimed
CN-112803083-A Zinc ion battery containing zinc complex 江苏师范大学 2021-05-14 CN claimed
CN-111201302-A Semiconductor luminescent material 默克专利股份有限公司 2020-05-26 CN claimed
EP-2969021-B1 HAIR CARE COMPOSITIONS COMPRISING POLYELECTROLYTE COMPLEXES FOR DURABLE BENEFITS ISP INVESTMENTS LLC (US) 2019-08-07 EP claimed
CN-108559586-A A kind of automobile steering device gear rack special grease and preparation method thereof 吉尔润科(湖南)石油化工有限公司 2018-09-21 CN claimed
EP-2257969-B1 METHODS OF PATTERNING A CONDUCTOR ON A SUBSTRATE 3M INNOVATIVE PROPERTIES CO (US) 2017-12-20 EP claimed
US-20170342582-A1 Chromium Alloy Coating with Enhanced Resistance to Corrosion in Calcium Chloride Environments CITIBANK, N.A. 2017-11-30 US claimed
US-9765437-B2 Chromium alloy coating with enhanced resistance to corrosion in calcium chloride environments CITIBANK, N.A. 2017-09-19 US claimed
EP-2969021-A1 HAIR CARE COMPOSITIONS COMPRISING POLYELECTROLYTE COMPLEXES FOR DURABLE BENEFITS Isp Investments Inc. (US) 2016-01-20 EP claimed
US-20160008257-A1 HAIR CARE COMPOSITIONS CONTAINING POLYELECTROLYTE COMPLEXES ISP INVESTMENTS INC. (US) 2016-01-14 US claimed
WO-2010110812-A1 CHROMIUM ALLOY COATING WITH ENHANCED RESISTANCE TO CORROSION IN CALCIUM CHLORIDE ENVIRONMENTS MACDERMID, INCORPORATED (US) 2010-09-30 WO claimed
US-20100243463-A1 Chromium Alloy Coating with Enhanced Resistance to Corrosion in Calcium Chloride Environments CITIBANK, N.A. 2010-09-30 US claimed
WO-2009108771-A2 METHODS OF PATTERNING A CONDUCTOR ON A SUBSTRATE 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-09-03 WO claimed
US-20090218310-A1 METHODS OF PATTERNING A CONDUCTOR ON A SUBSTRATE 3M INNOVATIVE PROPERTIES COMPANY 2009-09-03 US claimed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US claimed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP claimed
US-20060105920-A1 Performance-enhancing additives for lubricating oils MICHIGAN MOLECULAR INSTITUTE 2006-05-18 US claimed
WO-1997002906-A1 PROCESS FOR THE RECOVERY OF HEAVY METALS SUCH AS LEAD FROM METAL CONTAMINATED SOIL HOLBEIN BRUCE E (CA) 1997-01-30 WO claimed
US-4266964-A SAID ANTIDOTES BEING CHLOROPYRIDINE COMPOUNDS THE DOW CHEMICAL COMPANY (US) 1981-05-12 US claimed
US-4175186-A CYCLIZATION OF A NITROHALOBENZENE COMPOUND WITH A DIALKYDITHIOCARBAMIC ACID THE ANSUL COMPANY (US) 1979-11-20 US claimed

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-20160008257-A1 HAIR CARE COMPOSITIONS CONTAINING POLYELECTROLYTE COMPLEXES POLR1C, PARG, HACD3 CYP1A2 4762/4885ALDH1A1 3395/4885SMN1; SMN2 2996/4885
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 CYP1A2 471/4885ALDH1A1 423/4885SMN1; SMN2 3942/4885

“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.