SCHEMBL4676079

SCHEMBL4676079

CCCCC(CC)CN(CC(C)C)CC(CC)CCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 4/20 0.50
TSHR P16473 4/20 0.50
TDP1 Q9NUW8 2/20 0.46
CA2 P00918 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 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
SCHEMBL8862304 1.00 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL166842 0.91 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL25888175 0.90 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRTDP1CA2
Bromide SCHEMBL10889015 0.89 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1CA2
Hydrochloric Acid SCHEMBL11345531 0.89 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1CA2
Fluoride SCHEMBL634220 0.89 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL15421392 0.89 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1CA2
Hydrochloric Acid SCHEMBL10880852 0.89 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL9407479 0.87 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1CA2
Bromide SCHEMBL10889011 0.86 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRTDP1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4654432-A Preparation of 2-(hydroxymethyl)-acrylonitrile and 2-(hydroxymethyl)-acrylates BASF AKTIENGESELLSCHAFT (DE) 1987-03-31 US claimed
EP-0064007-B1 IONIC POLYESTERS, ELECTRICALLY PHOTOSENSITIVE COMPOSITE PARTICLES AND MATERIALS CONTAINING THE POLYESTERS AND PHOTOELECTROPHORETIC IMAGING METHODS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1986-01-22 EP claimed
US-20080287684-A1 Method for Producing Ionic Liquids BASF SE (DE) 2008-11-20 US disclosed
EP-1957472-A1 METHOD FOR PRODUCING IONIC LIQUIDS BASF SE (DE) 2008-08-20 EP disclosed
EP-1832571-A1 Process for producing hydroxyl group-containing vinyl compound FUJIFILM Corporation (JP) 2007-09-12 EP disclosed
WO-2007057403-A1 METHOD FOR PRODUCING IONIC LIQUIDS BASF SE (DE) 2007-05-24 WO disclosed
US-5847113-A Preparation of sulfo-containing copper phthalocyanine dyes BASF AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
EP-0839873-A1 Preparation process of copper phthalocyanine dyes containing sulfonic acid groups BASF AKTIENGESELLSCHAFT (DE) 1998-05-06 EP disclosed
EP-0548764-B1 Oxadimethacrylic compounds and process for their preparation BASF AG (DE) 1996-08-28 EP disclosed
EP-0561230-B1 Polymethacrylimide with high heat distortion resistance BASF AG (DE) 1996-05-29 EP disclosed
EP-0552603-B1 Soluble polymers BASF AG (DE) 1996-01-10 EP disclosed
US-4654432-A Preparation of 2-(hydroxymethyl)-acrylonitrile and 2-(hydroxymethyl)-acrylates BASF AKTIENGESELLSCHAFT (DE) 1987-03-31 US disclosed
US-4654411-A HEAT RESISTANCE BAYER AKTIENGESELLSCHAFT (DE) 1987-03-31 US disclosed
US-4652669-A MONOMERS BASF AKTIENGESELLSCHAFT (DE) 1987-03-24 US disclosed
EP-0129797-B1 POLYAZO-DYES BASF Aktiengesellschaft (DE) 1987-03-18 EP disclosed
EP-0185234-A1 2-(1-Hydroxycarbalkoxymethyl) acrylonitrile and acrylate esters, and process for their preparation BASF Aktiengesellschaft (DE) 1986-06-25 EP disclosed
EP-0184731-A1 Process for the preparation of 2-(1-hydroxymethyl) acrylonitrile and acrylates BASF Aktiengesellschaft (DE) 1986-06-18 EP disclosed
EP-0175205-A2 Polyesters of high molecular weight, their fabrication and use BAYER AG (DE) 1986-03-26 EP disclosed
EP-0145003-A2 Liquid dyestuff salts BASF Aktiengesellschaft (DE) 1985-06-19 EP disclosed
EP-0129797-A2 Polyazo-dyes BASF Aktiengesellschaft (DE) 1985-01-02 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-20080287684-A1 Method for Producing Ionic Liquids HACL2, HAO2, SLC6A12 ALDH1A1 909/4885CYP3A4 3044/4885TSHR 1407/4885

“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.