SCHEMBL129583

SCHEMBL129583

[CH2]CCCCCOC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
LMNA P02545 2/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
TSHR P16473 4/20 0.47
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
CYP3A4 P08684 1/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRNB2 P17787 1/20 0.44
TBXA2R P21731 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL297163 1.00 ALDH1A1 (0.58) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL9357943 1.00 ALDH1A1 (0.58) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL4740813 1.00 ALDH1A1 (0.58) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL9362486 1.00 ALDH1A1 (0.58) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL10887363 1.00 ALDH1A1 (0.58) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL7841371 1.00 ALDH1A1 (0.58) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL2688058 1.00 ALDH1A1 (0.58) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL5397748 1.00 ALDH1A1 (0.58) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL133539 0.97
SCHEMBL9193886 0.92 ALDH1A1 (0.61) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162799-B1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-03-10 EP claimed
US-20190233380-A1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-08-01 US claimed
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 US claimed
EP-3162799-A1 FLUOROALKYLATING AGENT Ihara Chemical Industry Co., Ltd. (JP) 2017-05-03 EP claimed
EP-1047431-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE THEREOF TUFTS COLLEGE (US) 2012-12-12 EP claimed
EP-1558654-A4 NOVEL COPOLYMER, PHOTORESIST COMPOSITIONS THEREOF AND DEEP UV BILAYER SYSTEM THEREOF FUJIFILM ELECTRONIC MATERIALS (US) 2006-04-05 EP claimed
US-20050250744-A1 Pharmaceutically active compounds and methods of use thereof TRUSTEES OF TUFTS COLLEGE (US) 2005-11-10 US claimed
EP-1558654-A2 NOVEL COPOLYMER, PHOTORESIST COMPOSITIONS THEREOF AND DEEP UV BILAYER SYSTEM THEREOF Fujifilm Electronic Materials USA, Inc. (US) 2005-08-03 EP claimed
US-6916543-B2 Copolymer, photoresist compositions thereof and deep UV bilayer system thereof ARCH SPECIALTY CHEMICALS, INC. (US) 2005-07-12 US claimed
EP-1047431-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE THEREOF TUFTS COLLEGE (US) 2004-12-08 EP claimed
US-20020123637-A1 5,9-substituted tetracycline; antibacterial activity, including against both gram-positive and gram-negative bacteria TRUSTEES OF TUFTS COLLEGE 2002-09-05 US claimed
EP-1047431-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2000-11-02 EP claimed
WO-1999037306-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 1999-07-29 WO claimed
WO-1999037307-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 1999-07-29 WO claimed
EP-0323757-B1 Alkylaminopyrimidine derivative, process for producing the same, and insecticide, acaricide and fungicide containing the same as active ingredient UBE INDUSTRIES (JP) 1995-05-10 EP claimed
EP-0297710-B1 DISPERSE DYES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-02 EP claimed
US-4931455-A Alkylaminopyrimidine derivative and insecticide, acaricide and fungicide containing the same as active ingredient UBE INDUSTRIES, LTD. (JP) 1990-06-05 US claimed
US-4881943-A Disperse dyes: nitro-thiophene azo dyes for bright blue shades on polyester IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-11-21 US claimed
EP-0323757-A2 Alkylaminopyrimidine derivative, process for producing the same, and insecticide, acaricide and fungicide containing the same as active ingredient UBE INDUSTRIES, LTD. (JP) 1989-07-12 EP claimed
EP-0297710-A1 Disperse dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-01-04 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20020123637-A1 5,9-substituted tetracycline; antibacterial activity, including against both gram-positive and gram-negative bacteria TLR5, HDAC5, TET1 ALDH1A1 4411/4885LMNA 3294/4885APOBEC3A 4132/4885
US-20050250744-A1 Pharmaceutically active compounds and methods of use thereof TREH, TET3, TUBB ALDH1A1 4209/4885LMNA 2958/4885APOBEC3A 3675/4885
US-20190233380-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 ALDH1A1 2072/4885LMNA 3147/4885APOBEC3A 3353/4885
US-20170197920-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 ALDH1A1 2072/4885LMNA 3147/4885APOBEC3A 3353/4885

“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.