SCHEMBL3945337

SCHEMBL3945337

S=CCCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.42
▸ SIGMAR1 Q99720 3/20 0.39
▸ ADH1B P00325 1/20 0.34
▸ ADH1C P00326 1/20 0.34
▸ ADH1A P07327 1/20 0.34
▸ ADH4 P08319 1/20 0.34
▸ ADH7 P40394 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ METAP1 P53582 1/20 0.32
▸ CHRM5 P08912 2/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ EPHX1 P07099 1/20 0.31
▸ KDM1A O60341 2/20 0.31
▸ MAOA P21397 2/20 0.31
▸ MAOB P27338 2/20 0.31

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
SCHEMBL11099045 0.86 — —
SCHEMBL6877800 0.78 CYP1A2 (0.46) CYP1A2SIGMAR1ADH1BADH1CADH1A
SCHEMBL8398837 0.76 CYP1A2 (0.44) CYP1A2SIGMAR1ADH1BADH1CADH1A
SCHEMBL435073 0.76 CYP1A2 (0.50) CYP1A2SIGMAR1ADH1BADH1CADH1A
SCHEMBL866722 0.76 CYP1A2 (0.50) CYP1A2SIGMAR1ADH1BADH1CADH1A
SCHEMBL867198 0.76 CYP1A2 (0.50) CYP1A2SIGMAR1ADH1BADH1CADH1A
SCHEMBL867017 0.76 CYP1A2 (0.50) CYP1A2SIGMAR1ADH1BADH1CADH1A
SCHEMBL867289 0.76 CYP1A2 (0.50) CYP1A2SIGMAR1ADH1BADH1CADH1A
SCHEMBL9450346 0.75 CYP1A2 (0.42) CYP1A2SIGMAR1ADH1BADH1CADH1A
SCHEMBL23754767 0.74 CYP1A2 (0.42) CYP1A2SIGMAR1ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046147-B1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-01 — — EP claimed
US-20090311403-A1 Method of Using Organic Compounds GIVAUDAN SA (CH) 2009-12-17 — — US claimed
EP-2046147-A1 METHOD OF USING ORGANIC COMPOUNDS Givaudan SA (CH) 2009-04-15 — — EP claimed
WO-2008011742-A1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-01-31 — — WO claimed
EP-2046147-B1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-01 — — EP disclosed
US-20090311403-A1 Method of Using Organic Compounds GIVAUDAN SA (CH) 2009-12-17 — — US disclosed
EP-2046147-A1 METHOD OF USING ORGANIC COMPOUNDS Givaudan SA (CH) 2009-04-15 — — EP disclosed
WO-2008011742-A1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-01-31 — — 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-20090311403-A1 Method of Using Organic Compounds MGLL, GK, LIPC CYP1A2 1990/4885SIGMAR1 1534/4885ADH1B 809/4885

“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.

Send feedback