SCHEMBL4936709

SCHEMBL4936709

CCCCC(=O)c1ccccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.58
CHRM2 P08172 1/20 0.58
CHRM4 P08173 1/20 0.58
HTR1A P08908 1/20 0.58
CHRM5 P08912 1/20 0.58
ADRA2A P08913 1/20 0.58
DRD2 P14416 1/20 0.58
ADRA2B P18089 1/20 0.58
CHRM3 P20309 1/20 0.58
DRD4 P21917 1/20 0.58
ADRA1D P25100 1/20 0.58
ADRA1A P35348 1/20 0.58
HRH1 P35367 1/20 0.58
ADRA1B P35368 1/20 0.58
CTNNB1 P35222 6/20 0.54
WNT3A P56704 6/20 0.54
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
GABRA1 P14867 1/20 0.49
GABRB2 P47870 1/20 0.49

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
SCHEMBL8525198 0.94 CHRM1 (0.57) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL10937745 0.93 CHRM1 (0.56) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL8510526 0.93 CHRM1 (0.56) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL3346960 0.88 CTNNB1 (0.58) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL83892 0.88 GABRA1 (0.54) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL30125359 0.88 GABRA1 (0.54) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL28294455 0.86 ERCC5 (0.56) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL15979740 0.86 CTNNB1 (0.68) CTNNB1WNT3AERCC5FEN1KMT2A
SCHEMBL30089517 0.86 CTNNB1 (0.68) CTNNB1WNT3AERCC5FEN1KMT2A
SCHEMBL7914414 0.85 ERCC5 (0.58) CHRM1CHRM2CHRM4HTR1ACHRM5

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0291849-B1 4-METHYL-4-PHENYL-PENTAN-1-ALS, THEIR PREPARATION AND APPLICATION AS AROMA CHEMICALS BASF Aktiengesellschaft (DE) 1991-10-16 EP claimed
EP-0291849-A2 4-Methyl-4-phenyl-pentan-1-als, their preparation and application as aroma chemicals BASF Aktiengesellschaft (DE) 1988-11-23 EP claimed
EP-3668850-A1 AMBER ODORANT Firmenich SA (CH) 2020-06-24 EP disclosed
US-20080234498-A1 Pyrovalerone Analogues and Therapeutic Uses Thereof PRESIDENT AND FELLOW OF HARVARD COLLEGE (US) 2008-09-25 US disclosed
EP-0291849-B1 4-METHYL-4-PHENYL-PENTAN-1-ALS, THEIR PREPARATION AND APPLICATION AS AROMA CHEMICALS BASF Aktiengesellschaft (DE) 1991-10-16 EP disclosed
US-4837201-A 4-Methyl-4-phenyl-1-pentanals, their preparation and their use as scents BASF AKTIENGESELLSCHAFT (DE) 1989-06-06 US disclosed
US-4837201-A 4-Methyl-4-phenyl-1-pentanals, their preparation and their use as scents BASF AKTIENGESELLSCHAFT (DE) 1989-06-06 US disclosed
EP-0291849-A2 4-Methyl-4-phenyl-pentan-1-als, their preparation and application as aroma chemicals BASF Aktiengesellschaft (DE) 1988-11-23 EP disclosed
EP-0291849-A2 4-Methyl-4-phenyl-pentan-1-als, their preparation and application as aroma chemicals BASF Aktiengesellschaft (DE) 1988-11-23 EP disclosed
CN-85101851-A The production method of propylene copolymer 1986-05-10 CN 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-20080234498-A1 Pyrovalerone Analogues and Therapeutic Uses Thereof SLC6A2, SLC6A4, SLC6A3 CHRM1 429/4885CHRM2 519/4885CHRM4 453/4885

“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.