SCHEMBL2245266

SCHEMBL2245266

CCOC(=O)CCC(C)=Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
RAB9A P51151 2/20 0.46
AKR1C3 P42330 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.46
NR1I2 O75469 1/20 0.45
MAPK1 P28482 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL2245263 1.00 MEN1 (0.60) MEN1KMT2AKDM4ESMN1; SMN2CYP4F2
SCHEMBL2240835 0.87 SMN1; SMN2 (0.45) MEN1KMT2AKDM4ESMN1; SMN2CYP4F2
SCHEMBL2239635 0.85 RECQL (0.49) MEN1KMT2AKDM4ESMN1; SMN2RAB9A
SCHEMBL3246447 0.84 MAPT (0.60) MEN1KMT2AKDM4ESMN1; SMN2CYP4F2
SCHEMBL3246446 0.84 MAPT (0.60) MEN1KMT2AKDM4ESMN1; SMN2CYP4F2
SCHEMBL10649002 0.83 MEN1 (0.60) MEN1KMT2AKDM4ESMN1; SMN2CYP4F2
SCHEMBL27839746 0.81 CYP4F2 (0.45) MEN1KMT2AKDM4ESMN1; SMN2CYP4F2
SCHEMBL3274821 0.80 RECQL (0.55) MEN1KMT2AAKR1C3ALDH1A1S1PR1
SCHEMBL3360462 0.80 RECQL (0.55) MEN1KMT2AAKR1C3ALDH1A1S1PR1
Succinic Acid Diethyl Ester SCHEMBL27940678 0.78 SMN1; SMN2 (0.62) MEN1KMT2ASMN1; SMN2CYP4F2CYP4A11

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 18 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
CN-102197122-B Perfuming ingredients of the floral and/or anis type FIRMENICH & CIE 2013-03-27 CN claimed
EP-2352809-B1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH & CIE (CH) 2012-09-19 EP claimed
CN-102197122-A Perfuming ingredients of the floral and/or anis type FIRMENICH & CIE 2011-09-21 CN claimed
US-20110200546-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2011-08-18 US claimed
EP-2352809-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE Firmenich S.A. (CH) 2011-08-10 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
CN-102197122-B Perfuming ingredients of the floral and/or anis type FIRMENICH & CIE 2013-03-27 CN disclosed
EP-2352809-B1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH & CIE (CH) 2012-09-19 EP disclosed
CN-102197122-A Perfuming ingredients of the floral and/or anis type FIRMENICH & CIE 2011-09-21 CN disclosed
US-20110200546-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2011-08-18 US disclosed
EP-2352809-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE Firmenich S.A. (CH) 2011-08-10 EP disclosed
WO-2010052635-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2010-05-14 WO disclosed
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP 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-20110200546-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE COXFA4, CCR4, AFF4 MEN1 4390/4885KMT2A 2491/4885KDM4E 929/4885
US-20140314699-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE COXFA4, CCR4, AFF4 MEN1 4390/4885KMT2A 2491/4885KDM4E 929/4885

“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.