SCHEMBL974306

SCHEMBL974306

CCNC(=O)C(C)=Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
NPC1 O15118 3/20 0.67
ALDH1A1 P00352 2/20 0.67
POLB P06746 1/20 0.60
AKR1C3 P42330 1/20 0.58
DHODH Q02127 1/20 0.54
TRPM8 Q7Z2W7 1/20 0.54
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53
STAT1 P42224 1/20 0.50
RECQL P46063 1/20 0.50
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HDAC1 Q13547 1/20 0.44
TSHR P16473 1/20 0.44
MME P08473 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
SCHEMBL974305 1.00 RAB9A (0.67) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL13876700 0.88 RAB9A (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL28740913 0.84 RAB9A (0.65) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL15970640 0.83 RAB9A (0.72) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL7747924 0.83 RAB9A (0.63) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL7747926 0.83 RAB9A (0.63) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL15970636 0.83 RAB9A (0.72) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL28820636 0.81 RAB9A (0.61) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL28820637 0.81 RAB9A (0.61) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL13123964 0.81 MME (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268614-B1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS SHOWA DENKO KK (JP) 2013-05-15 EP disclosed
US-8258340-B2 Method for producing β-mercapto carboxylic acids SHOWA DENKO K.K. (JP) 2012-09-04 US disclosed
US-20110015436-A1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS SHOWA DENKO K.K. (JP) 2011-01-20 US disclosed
EP-2268614-A1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS Showa Denko K.K. (JP) 2011-01-05 EP disclosed
US-7767380-B2 Photopolymerization type photosensitive lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2010-08-03 US disclosed
WO-2009113711-A1 METHOD FOR PRODUCING -MERCAPTO CARBOXYLIC ACIDS SHOWA DENKO K.K. (JP) 2009-09-17 WO disclosed
US-20080076066-A1 PHOTOPOLYMERIZATION TYPE PHOTOSENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2008-03-27 US 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-20110015436-A1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS CBS, ALDH7A1, CBR1 RAB9A 3558/4885SMN1; SMN2 2240/4885NPC1 3007/4885

“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.