SCHEMBL16335035

SCHEMBL16335035

CC(C)CCC(O)c1cccc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.42
SLC18A3 Q16572 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
SLC6A3 Q01959 4/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRB3 P13945 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL6685361 0.84 SLC18A3 (0.43) SLC18A3SIGMAR1SLC6A3CYP3A4CYP2D6
SCHEMBL4839441 0.82 ALDH1A1 (0.42) SLC18A3SIGMAR1SLC6A3CYP3A4CYP2D6
SCHEMBL3183753 0.81 SLC18A3 (0.43) SLC18A3SIGMAR1SLC6A3CYP3A4CYP2D6
SCHEMBL236979 0.80 TAAR1 (0.44) SLC18A3SIGMAR1IDO1TDO2
SCHEMBL6683467 0.79 LMNA (0.57) SLC18A3SIGMAR1SLC6A3CYP3A4CYP2D6
SCHEMBL31138108 0.79 LMNA (0.57) SLC18A3SIGMAR1SLC6A3CYP3A4CYP2D6
SCHEMBL23364605 0.79 RIPK1 (0.64) SLC18A3SIGMAR1SLC6A3CYP3A4CYP2D6
SCHEMBL8500559 0.79 CYP1A2 (0.44) CYP3A4CYP2D6ALDH1A1TSHRNFKB1
SCHEMBL8722245 0.79 TAAR1 (0.49) SLC18A3SIGMAR1SLC6A3CYP2D6SLC6A2
SCHEMBL16596410 0.79 CYP1A2 (0.44) CYP3A4CYP2D6ALDH1A1TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013782-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2018-10-03 EP disclosed
US-9708570-B2 Organic compounds Givaudan, S.A. (CH) 2017-07-18 US disclosed
US-20160369205-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2016-12-22 US disclosed
EP-3013782-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2016-05-04 EP disclosed
WO-2014205782-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-12-31 WO disclosed
WO-2014207205-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-12-31 WO 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-20160369205-A1 ORGANIC COMPOUNDS PAH, AQP3, HPD AOC3 62/4885SLC18A3 3120/4885SIGMAR1 1331/4885

“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.