SCHEMBL4663086

SCHEMBL4663086

CCOC1CCCCC1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 2/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 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
SCHEMBL19368191 0.96 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2KDM4EAPOBEC3AAPOBEC3G
SCHEMBL24220376 0.82 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL21357944 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL3385012 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL9475497 0.77 MEN1 (0.44) ALDH1A1KDM4EMEN1KMT2AEPHX1
SCHEMBL13437237 0.76 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL4660363 0.75 KDM4E (0.41) ALDH1A1KDM4EEPHX1
SCHEMBL24229725 0.75
SCHEMBL24022481 0.75 KDM4E (0.41) ALDH1A1KDM4EEPHX1
SCHEMBL21238561 0.75 KDM4E (0.41) ALDH1A1KDM4EEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569383-B2 Utilization of rhinologically active substances SYMRISE AG (DE) 2013-10-29 US claimed
EP-1341512-B1 RHINOLOGICAL AGENTS SYMRISE GMBH & CO KG (DE) 2008-12-31 EP claimed
US-7414079-B2 Utilization of rhinologically active substances SYMRISE GMBH & CO. KG (DE) 2008-08-19 US claimed
US-20050027017-A1 Rhinologically active substances SYMRISE AG (DE) 2005-02-03 US claimed
US-20020120014-A1 Rhinologically active substances HAARMANN & REIMER GMBH (DE) 2002-08-29 US claimed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-8569383-B2 Utilization of rhinologically active substances SYMRISE AG (DE) 2013-10-29 US disclosed
US-20080274064-A1 UTILIZATION OF RHINOLOGICALLY ACTIVE SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2008-11-06 US disclosed
US-7414079-B2 Utilization of rhinologically active substances SYMRISE GMBH & CO. KG (DE) 2008-08-19 US disclosed
US-20050027017-A1 Rhinologically active substances SYMRISE AG (DE) 2005-02-03 US disclosed
US-20020120014-A1 Rhinologically active substances HAARMANN & REIMER GMBH (DE) 2002-08-29 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 (4 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-20020120014-A1 Rhinologically active substances TRPV1, TRPA1, CRH ALDH1A1 744/4885SMN1; SMN2 4825/4885KDM4E 2239/4885
US-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 ALDH1A1 670/4885SMN1; SMN2 3550/4885KDM4E 2007/4885
US-20080274064-A1 UTILIZATION OF RHINOLOGICALLY ACTIVE SUBSTANCES MRGPRX4, HCRTR1, TRPV1 ALDH1A1 466/4885SMN1; SMN2 4847/4885KDM4E 3257/4885
US-20050027017-A1 Rhinologically active substances TRPV1, TRPA1, CRH ALDH1A1 744/4885SMN1; SMN2 4825/4885KDM4E 2239/4885

“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.