SCHEMBL170037

SCHEMBL170037

C=CCNC(C=C)OC(=O)C=C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.35
ALDH1A1 P00352 5/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL278175 0.78 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2044651 0.77 TSHR (0.31) TSHRMAPTSMN1; SMN2
SCHEMBL368698 0.76 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL10480453 0.74 TSHR (0.39) TSHRHPGD
SCHEMBL5134648 0.74 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL8815454 0.73 ZDHHC20 (0.46) TSHRHPGD
SCHEMBL11282324 0.72 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5969942 0.71 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9841939 0.71 TSHR (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
Water SCHEMBL28115663 0.69 TSHR (0.36) TSHRALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108290359-A contact lens packaging solution 诺华股份有限公司 2018-07-17 CN claimed
EP-1330502-B1 COATING COMPOSITION VALSPAR SOURCING INC (US) 2004-06-02 EP claimed
EP-1330502-A2 COATING COMPOSITION Valspar Sourcing, Inc. (US) 2003-07-30 EP claimed
WO-2002036692-A2 COATING COMPOSITION VALSPAR SOURCING, INC. (US) 2002-05-10 WO claimed
EP-0178096-B2 Improved process for matching color of paint to a colored surface DU PONT (US) 1993-10-27 EP claimed
EP-0178096-B1 IMPROVED PROCESS FOR MATCHING COLOR OF PAINT TO A COLORED SURFACE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-14 EP claimed
US-4692481-A REFINISHING OR REPAIR OF AUTOMOBILES AND TRUCKS; MATCHING PRINTS CONTAINING METALLIC FLAKE PIGMENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-08 US claimed
EP-0178096-A2 Improved process for matching color of paint to a colored surface E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-04-16 EP claimed
EP-3121643-B1 OPHTHALMIC LENS MENICON CO LTD (JP) 2020-07-22 EP disclosed
US-20200163863-A1 WATER-RESISTANT COSMETIC MEANS FOR TEMPORARILY CHANGING THE COLOUR OF KERATIN-CONTAINING MATERIALS II HENKEL AG & CO. KGAA (DE) 2020-05-28 US disclosed
EP-3086162-B1 OCULAR LENS MENICON CO LTD (JP) 2019-04-17 EP disclosed
EP-3086163-B1 POLYSILOXANE-BASED MACROMONOMER FOR USE IN OCULAR LENS AND OCULAR LENS USING SAME MENICON CO LTD (JP) 2018-11-14 EP disclosed
CN-105050705-B The microcapsules of spray drying 恩盖普有限公司 2018-07-27 CN disclosed
CN-108290359-A contact lens packaging solution 诺华股份有限公司 2018-07-17 CN disclosed
US-4692481-A REFINISHING OR REPAIR OF AUTOMOBILES AND TRUCKS; MATCHING PRINTS CONTAINING METALLIC FLAKE PIGMENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-08 US disclosed
EP-0178096-A2 Improved process for matching color of paint to a colored surface E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-04-16 EP disclosed
US-4572920-A ANION EXCHANGE MONOMER, ACRYLIC MONOMER FOR PREVENTION OF DENTAL CARIES RESEARCH CORPORATION (US) 1986-02-25 US disclosed
US-4515910-A SUSTAINED RELEASE OF FLUORIDE BY ION EXCHANGE; ANTICARIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1985-05-07 US disclosed
US-4248736-A ACTIVE CARBON FABRIC WITH HYDROPHILIC POLYMER COATING, FOR DETOXIFICATION KURARAY CO., LTD. (JP) 1981-02-03 US disclosed
US-3990381-A Hydrophilic polymer coating for underwater structures NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1976-11-09 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-20200163863-A1 WATER-RESISTANT COSMETIC MEANS FOR TEMPORARILY CHANGING THE COLOUR OF KERATIN-CONTAINING MATERIALS II KRT18, CUTA, DSG1 TSHR 3607/4885ALDH1A1 1806/4885TP53 43/4885

“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.