SCHEMBL16624155

SCHEMBL16624155

CCCCCCCCCCCCCCCC[N+](C)(C)CCOc1ccc(C(=O)C(C)C(C)CC(=O)C2=C(C)CCCC2(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.40
HRH1 P35367 2/20 0.40
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
ADRB2 P07550 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
MAOA P21397 1/20 0.40
CNR1 P21554 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL17129705 0.86 RARB (0.37) HRH1HRH3CYP3A4MAPK1HRH2
SCHEMBL14227671 0.81 ALDH1A1 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL16624156 0.77 ESR1 (0.40) ESR1HRH1MLNRNR1I2NR3C1
SCHEMBL17675719 0.76 RXRA (0.43) CYP3A4
SCHEMBL14227659 0.75 RARB (0.35) HRH1PGRADRA2AADRA2BHTR2A
SCHEMBL16624158 0.74 THRA (0.32) ESR1HRH1MLNRNR1I2NR3C1
SCHEMBL14227676 0.71 SLC6A4 (0.40) SLC6A4PDE4DALDH1A1CYP3A4MAPK1
SCHEMBL14227665 0.69 MEN1 (0.40) ADRB2ADRB1ALDH1A1MAPK1
SCHEMBL16624162 0.68 MLNR (0.33) ESR1HRH1MLNRNR1I2NR3C1
SCHEMBL17129734 0.67 MAPT (0.34) HRH1ALDH1A1LMNACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730875-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2017-08-15 US disclosed
US-20160143829-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA 2016-05-26 US disclosed
US-9284261-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2016-03-15 US disclosed
US-20150099810-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2015-04-09 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 (2 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-20150099810-A1 PHOTOLABILE PRO-FRAGRANCES TRPA1, PSAP, CRY1 ESR1 1885/4885HRH1 34/4885MLNR 3480/4885
US-20160143829-A1 PHOTOLABILE PRO-FRAGRANCES TRPA1, PSAP, CRY1 ESR1 1885/4885HRH1 34/4885MLNR 3480/4885

“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.