SCHEMBL4366899

SCHEMBL4366899

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 4/20 0.52
TSHR P16473 4/20 0.52
TDP1 Q9NUW8 2/20 0.48
CA2 P00918 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PLA2G1B P04054 1/20 0.36
PLA2G2A P14555 1/20 0.36
ATM Q13315 1/20 0.36
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

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
SCHEMBL628733 0.95 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL8862271 0.91 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL16232791 0.91 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL17165007 0.91 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL4376195 0.91 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL15418383 0.91 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL4371967 0.91 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL11505039 0.90 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL166842 0.88 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL14839899 0.88 ALDH1A1 (0.52) 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 16 patents. 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
US-20090035696-A1 PHOTORESIST COMPOSITION KYOWA HAKKO CHEMICAL CO., LTD. (JP) 2009-02-05 US disclosed
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-6160169-A Preparation of amine salts of 4-nitrotoluene-2-sulfonic acid BASF AKTIENGESELLSCHAFT (DE) 2000-12-12 US disclosed
US-5892105-A Preparation of amine salts of 4-nitrotoluene-2-sulfonic acid BASF AKTIENGESELLSCHAFT (DE) 1999-04-06 US disclosed
EP-0259849-B1 PROCESS FOR THE PREPARATION OF C.I. VAT BLUE 16 BASF Aktiengesellschaft (DE) 1991-10-16 EP disclosed
US-4824608-A ALKYLATING 16,17-DIHYDROXYVIOLANTHRENE-5,10-DIONE IN TERTIARY ALIPHATIC OR CYCLOALIPHATIC AMINE AS SOLVENT BASF AKTIENGESELLSCHAFT (DE) 1989-04-25 US disclosed
EP-0185234-B1 2-(1-HYDROXYCARBALKOXYMETHYL) ACRYLONITRILE AND ACRYLATE ESTERS, AND PROCESS FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1988-06-01 EP disclosed
EP-0259849-A2 Process for the preparation of C.I. vat blue 16 BASF Aktiengesellschaft (DE) 1988-03-16 EP disclosed
US-4654432-A Preparation of 2-(hydroxymethyl)-acrylonitrile and 2-(hydroxymethyl)-acrylates BASF AKTIENGESELLSCHAFT (DE) 1987-03-31 US disclosed
US-4652669-A MONOMERS BASF AKTIENGESELLSCHAFT (DE) 1987-03-24 US 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

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.