SCHEMBL1007787

SCHEMBL1007787

CC(C)N=C=Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.44
ALDH1A1 P00352 2/20 0.36
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
TDP1 Q9NUW8 2/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTR3E A5X5Y0 1/20 0.30
SLC22A2 O15244 1/20 0.30
SLC22A1 O15245 1/20 0.30
SLC22A3 O75751 1/20 0.30
HTR3B O95264 1/20 0.30
PLAU P00749 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 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
SCHEMBL14656477 0.83 MIF (0.35) MIFNOS3NOS1
SCHEMBL18479689 0.79 MIF (0.39) MIFALDH1A1NOS3NOS1TSHR
SCHEMBL4539627 0.79 MIF (0.39) MIFALDH1A1NOS3NOS1MAPK1
SCHEMBL4539625 0.79 MIF (0.39) MIFALDH1A1NOS3NOS1MAPK1
SCHEMBL23341667 0.78 ADRB2 (0.35) ALDH1A1NOS3NOS1TDP1HTR3E
SCHEMBL11430714 0.78 ESR2 (0.38) MIFALDH1A1NOS3HSD17B10
SCHEMBL156948 0.77 MIF (0.60) MIFALDH1A1NOS3NOS1TDP1
SCHEMBL25895341 0.77 TSHR (0.40) MIFALDH1A1TDP1TSHRMAPK1
SCHEMBL11154429 0.77 HTR3E (0.42) ALDH1A1NOS3NOS1TSHRMAPK1
SCHEMBL815068 0.75 SIGMAR1 (0.39) NOS3NOS1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4622991-A2 SYNTHESIS OF A CYCLIC PEPTIDE Janssen Pharmaceutica NV (BE) 2025-10-01 EP claimed
WO-2024110477-A2 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-05-30 WO claimed
WO-2023141693-A1 SYNTHETIC GLYCOLIPIDS AND GLYCOLIPOSOME COMPOSITIONS SUITABLE FOR CARGO DELIVERY TO THE CENTRAL NERVOUS SYSTEM KORANEX CAPITAL (CA) 2023-08-03 WO claimed
CN-116283666-A Preparation method of high-purity 4,4' -diphenylmethane diisocyanate 万华生态科技有限公司 2023-06-23 CN claimed
US-20220154260-A1 OLIGONUCLEOTIDE DEPOSITION ONTO POLYPROPYLENE SUBSTRATES QUANTUMDX GROUP LIMITED (GB) 2022-05-19 US claimed
EP-3908675-A1 OLIGONUCLEOTIDE DEPOSITION ONTO POLYPROPYLENE SUBSTRATES QuantuMDx Group Limited (GB) 2021-11-17 EP claimed
US-20200375871-A1 CATIONIC CELLULOSE AND COMPOSITION FOR TREATING HAIR, SKIN, OR FIBER INCLUDING SAME LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2020-12-03 US claimed
EP-3711743-A1 CATIONIC CELLULOSE AND COMPOSITION FOR TREATING HAIR, SKIN, OR FIBER INCLUDING SAME LG Household & Health Care Ltd. (KR) 2020-09-23 EP claimed
WO-2020144456-A1 OLIGONUCLEOTIDE DEPOSITION ONTO POLYPROPYLENE SUBSTRATES QUANTUMDX GROUP LIMITED (GB) 2020-07-16 WO claimed
US-20190203102-A1 CHEMISTRY FOR FINES AND WATER CONTROL COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2019-07-04 US claimed
EP-3500646-A1 CHEMISTRY FOR FINES FIXING AND WATER CONTROL Commonwealth Scientific and Industrial Research Organisation (AU) 2019-06-26 EP claimed
WO-2018032051-A1 CHEMISTRY FOR FINES FIXING AND WATER CONTROL COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-02-22 WO claimed
US-8916060-B2 Lubricant for compression refrigerating machine and refrigerating apparatus using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-12-23 US claimed
CN-101522870-B Lubricating oil for compression-type refrigerator and refrigeration device using same IDEMITSU KOSAN CO 2014-02-12 CN claimed
EP-4646423-A1 PEPTIDE SYNTHESIS METHOD INVOLVING STERICALLY HINDERED TRI-TERT-BUTYL-TRYPTOPHAN (TBT) RESIDUE Amicoat AS (NO) 2025-11-12 EP disclosed
EP-4622991-A2 SYNTHESIS OF A CYCLIC PEPTIDE Janssen Pharmaceutica NV (BE) 2025-10-01 EP disclosed
WO-2024146948-A1 PEPTIDE SYNTHESIS METHOD INVOLVING STERICALLY HINDERED TRI-TERT-BUTYL-TRYPTOPHAN (TBT) RESIDUE AMICOAT AS (NO) 2024-07-11 WO disclosed
WO-2009127555-A1 METHOD FOR THE CONTINUOUS PRODUCTION OF BIODEGRADABLE POLYESTERS BASF SE (DE) 2009-10-22 WO disclosed
CN-101522870-A Lubricating oil for compression-type refrigerator and refrigeration device using same IDEMITSU KOSAN CO (JP) 2009-09-02 CN disclosed
EP-2067844-A1 LUBRICANT FOR COMPRESSION REFRIGERATING MACHINE AND REFRIGERATING APPARATUS USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-06-10 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-20200375871-A1 CATIONIC CELLULOSE AND COMPOSITION FOR TREATING HAIR, SKIN, OR FIBER INCLUDING SAME CUTA, INCENP, ACMSD MIF 1393/4885ALDH1A1 4476/4885NOS3 663/4885

“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.