SCHEMBL3360105

SCHEMBL3360105

C/C(=C\c1ccc(C)cc1)CCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
RAB9A P51151 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
FFAR1 O14842 1/20 0.41
LMNA P02545 1/20 0.41
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
RARA P10276 1/20 0.40
RXRA P19793 1/20 0.40
AKR1C3 P42330 1/20 0.40
RECQL P46063 1/20 0.40
FOS P01100 1/20 0.40
JUN P05412 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
SCHEMBL3360111 1.00 KMT2A (0.57) KMT2ARAB9AL3MBTL1NPC1POLB
SCHEMBL26967385 0.87 RAB9A (0.42) KMT2ARAB9AL3MBTL1NPC1POLB
SCHEMBL30698174 0.87 RAB9A (0.42) KMT2ARAB9AL3MBTL1NPC1POLB
SCHEMBL3360462 0.85 RECQL (0.55) KMT2AMEN1S1PR1S1PR3AKR1C3
SCHEMBL3274821 0.85 RECQL (0.55) KMT2AMEN1S1PR1S1PR3AKR1C3
SCHEMBL2240798 0.81 CYP2A6 (0.43) KMT2ARAB9ANPC1POLBMAPT
SCHEMBL2243080 0.81 CYP2A6 (0.43) KMT2ARAB9ANPC1POLBMAPT
SCHEMBL2240794 0.81 CYP2A6 (0.43) KMT2ARAB9ANPC1POLBMAPT
SCHEMBL2240835 0.81 SMN1; SMN2 (0.45) KMT2AMAPTMEN1GAAS1PR1
SCHEMBL2240212 0.81 ALDH1A1 (0.44) KMT2ARAB9AL3MBTL1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140314699-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2014-10-23 US claimed
US-8815792-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2014-08-26 US claimed
EP-2352809-B1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH & CIE (CH) 2012-09-19 EP claimed
WO-2010052635-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2010-05-14 WO claimed
US-9487734-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2016-11-08 US disclosed
US-20140314699-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2014-10-23 US disclosed
US-8815792-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2014-08-26 US disclosed
EP-2352809-B1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH & CIE (CH) 2012-09-19 EP disclosed
WO-2010052635-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2010-05-14 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-20140314699-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE COXFA4, CCR4, AFF4 KMT2A 2491/4885RAB9A 3963/4885L3MBTL1 1477/4885

“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.