SCHEMBL16624162

SCHEMBL16624162

CCCCCCCCCCCCCCCC[N+](C)(C)COc1ccc(C(=O)C(C)C(C)CC(=O)C2C(C)C=CCC2(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
ESR1 P03372 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
ADRB2 P07550 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRB1 P08588 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
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
MAOA P21397 1/20 0.33
CNR1 P21554 1/20 0.33
SLC6A2 P23975 1/20 0.33
NPY1R P25929 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
SCHEMBL17129706 0.85 MAPT (0.36) DRD3HRH3ALDH1A1MAPK1RARB
SCHEMBL14227669 0.84 ALDH1A1 (0.35) SLC6A2SLC6A4DRD3SLC6A3ALDH1A1
SCHEMBL17675721 0.79 RAB9A (0.37) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL16626452 0.79 CHRM2 (0.33) CHRM2ADRA2BSLC6A2SLC6A4DRD3
SCHEMBL14359958 0.78 ALDH1A1 (0.38) ESR1MAOAALDH1A1LMNACYP3A4
SCHEMBL16624158 0.77 THRA (0.32) MLNRNR1I2ESR1NR3C1PGR
SCHEMBL17676152 0.77
SCHEMBL17027579 0.76 LMNA (0.34) ALDH1A1LMNACYP3A4MAPK1SMN1; SMN2
SCHEMBL16624153 0.74 HRH3 (0.32) CHRM2CHRM3HRH3ALDH1A1SMN1; SMN2
SCHEMBL16624156 0.73 ESR1 (0.40) MLNRNR1I2ESR1NR3C1PGR

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 MLNR 3480/4885NR1I2 1937/4885ESR1 1885/4885
US-20160143829-A1 PHOTOLABILE PRO-FRAGRANCES TRPA1, PSAP, CRY1 MLNR 3480/4885NR1I2 1937/4885ESR1 1885/4885

“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.