SCHEMBL9183202

SCHEMBL9183202

CCCC(C#N)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TRPA1 O75762 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
POLB P06746 2/20 0.37
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
CYP2C9 P11712 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33

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
SCHEMBL9562158 0.88 CA2 (0.40) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL4970073 0.87 ALDH1A1 (0.34) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL1325862 0.86 ZDHHC7 (0.41) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL20348151 0.86 ALDH1A1 (0.38) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL4734757 0.86 HDAC1 (0.35) ALDH1A1TSHRLMNACHRM1AKR1A1
SCHEMBL29374123 0.85 ZDHHC7 (0.43) LMNAMAPTCPB2
SCHEMBL28288321 0.85 ZDHHC7 (0.43) LMNAMAPTCPB2
SCHEMBL17079750 0.85 ZDHHC7 (0.43) LMNAMAPTCPB2
SCHEMBL21646318 0.85 ZDHHC7 (0.43) LMNAMAPTCPB2
SCHEMBL11273438 0.84 CPB2 (0.41) ALDH1A1TSHRMEN1KMT2AGAA

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
CN-101712645-A Preparation method for (2R, 4R)-4-substituted-2-piperidine carboxylic acid compound and intermediate thereof CHONGQING WORLD HAORUI PHARM C 2010-05-26 CN claimed
JP-6116200-A None JP disclosed
CN-119930467-A Preparation method of 2-cyano-2-propyl valerate and valproic acid 湖南省湘中制药有限公司 2025-05-06 CN disclosed
CN-119462421-A Recovery method and application of 2-cyano-2-valproic acid hydrate 湖南大学 2025-02-18 CN disclosed
CN-119118869-A Recovery method of 2-cyano-2-valproic acid 湖南省湘中制药有限公司 2024-12-13 CN disclosed
US-20170136058-A1 CO-NETWORK OF HIGH AND LOW MOLECULAR WEIGHT 3-ARM STAR CYANOACRYLATE-TELECHELIC POLYISOBUTYLENE AND 2-OCTYL CYANOACRYLATE THE UNIVERSITY OF AKRON (US) 2017-05-18 US disclosed
US-20170028099-A1 METHOD FOR THE PRODUCTION OF POLY(2-OCTYL CYANOACRYLATE)-POLYISOBUTYLENE CO-NETWORK, AND SUPER INITIATORS THEREFOR THE UNIVERSITY OF AKRON (US) 2017-02-02 US disclosed
CN-101712645-A Preparation method for (2R, 4R)-4-substituted-2-piperidine carboxylic acid compound and intermediate thereof CHONGQING WORLD HAORUI PHARM C 2010-05-26 CN disclosed
EP-0315996-B1 Optically active compound, process for producing same and liquid crystal composition containing same CANON KK (JP) 1995-06-28 EP disclosed
JP-H06116200-A NEW FLUORINATED VALPROIC ACID DERIVATIVE AND ANTIEPILEPTIC AGENT KUREHA CHEM IND CO LTD 1994-04-26 JP disclosed
US-4999130-A Optically active compound, process for producing same and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1991-03-12 US disclosed
EP-0315996-A2 Optically active compound, process for producing same and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1989-05-17 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-20170136058-A1 CO-NETWORK OF HIGH AND LOW MOLECULAR WEIGHT 3-ARM STAR CYANOACRYLATE-TELECHELIC POLYISOBUTYLENE AND 2-OCTYL CYANOACRYLATE TNNC1, PCNA, TAC3 ALDH1A1 3897/4885TSHR 3824/4885MEN1 4128/4885

“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.