SCHEMBL167036

SCHEMBL167036

CCO/C=C(/C#N)C(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.61
ALDH1A1 P00352 7/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 7/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTP4A1 Q93096 1/20 0.48
MIF P14174 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
USP2 O75604 2/20 0.47
GAA P10253 2/20 0.47
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL508463 1.00 CYP2C9 (0.61) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL167037 1.00 CYP2C9 (0.61) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL11652941 0.87 CYP2C9 (0.47) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL11652946 0.87 CYP2C9 (0.47) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL11106211 0.87 CYP2C9 (0.56) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL31636860 0.85 CYP2C9 (0.61) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL2671868 0.85 CYP2C9 (0.43) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL2671866 0.85 CYP2C9 (0.43) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL4546680 0.85 CYP2C9 (0.61) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL4135128 0.85 CYP2C9 (0.61) CYP2C9ALDH1A1TSHRMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118879245-A Negative electrode binder, negative electrode plate and battery 深圳好电科技有限公司 2024-11-01 CN claimed
CN-118063472-A Imidazo [3,4-d ] pyrimidine compound and synthetic method and application thereof 河北大学 2024-05-24 CN claimed
CN-117976996-A Battery, preparation method thereof and electricity utilization device 江苏正力新能电池技术有限公司 2024-05-03 CN claimed
CN-117447703-A Multifunctional group modified silane compound and preparation method thereof, hardening coating and preparation method thereof 深圳市华星光电半导体显示技术有限公司 2024-01-26 CN claimed
CN-115215767-B Process for preparing 2-cyano-3-ethoxyacrylic acid ethyl ester derivative 帕潘纳(北京)科技有限公司 2023-09-12 CN claimed
CN-116693541-A Synthesis method of 4-chloro-5H-pyrrolo [3,2-D ] pyrimidine 安徽大学 2023-09-05 CN claimed
CN-116355144-A Preparation method of composite functional polycarboxylate superplasticizer 南京师范大学 2023-06-30 CN claimed
CN-113185512-B 5-aminopyrimido [4,5-b ] quinoline compound and preparation method and application thereof 桂林医学院 2023-05-05 CN claimed
CN-115215767-A Process for preparing 2-cyano-3-ethoxy ethyl acrylate derivatives 帕潘纳(北京)科技有限公司 2022-10-21 CN claimed
CN-111276738-B Asymmetric solid electrolyte, preparation method thereof and application thereof in high-voltage solid-state battery 中国科学院化学研究所 2021-08-31 CN claimed
CN-112062692-A Preparation method of ethyl ethoxymethylene cyanoacetate 太仓市茜泾化工有限公司 2020-12-11 CN claimed
CN-111276738-A Asymmetric solid electrolyte, preparation method thereof and application thereof in high-voltage solid-state battery 中国科学院化学研究所 2020-06-12 CN claimed
CN-106518765-A Synthetic method of pesticide intermediate pyrazole-4-ethyl formate 上海微巨实业有限公司 2017-03-22 CN claimed
US-9466827-B2 Secondary battery NEC CORPORATION (JP) 2016-10-11 US claimed
US-6972331-B2 Carboxy pyrrole, process of preparing and use as precursor BIOCRYST PHARMACEUTICALS, INC. (US) 2005-12-06 US claimed
US-20040214840-A1 Carboxy pyrrole, process of preparing and use as precursor BIOCRYST PHARMACEUTICALS, INC. 2004-10-28 US claimed
EP-0333661-B1 Process for the preparation of a pyrole derivative CIBA GEIGY AG (CH) 1994-04-27 EP claimed
US-5281718-A Reacting in one pot reaction 2,2-difluorobenzodioxole with an organometal compound or metal to form 4-metallo-2,2-difluorobenzodioxole, reacting with unsaturated nitrile, then with isocyanide CIBA-GEIGY CORPORATION (US) 1994-01-25 US claimed
JP-60181087-A None JP disclosed
US-3925385-A 6-Carbethoxy-3,7-disubstitutedpyrazolo{8 1,5a{9 pyrimidines VIRATEK, INC., A CORP. OF DE. 1975-12-09 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-20040214840-A1 Carboxy pyrrole, process of preparing and use as precursor PNPO, PNP, FTO CYP2C9 252/4885ALDH1A1 1840/4885TSHR 3325/4885

“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.