SCHEMBL2985136

SCHEMBL2985136

[CH2]CC(C)CCCC(C)(C)OC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.32

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
SCHEMBL11197857 0.86 CYP3A4 (0.41) CYP3A4ALDH1A1TDP1LMNAMEN1
SCHEMBL19812427 0.81 ALDH1A1 (0.43) CYP3A4ALDH1A1TDP1LMNAMEN1
SCHEMBL5322857 0.81 ALDH1A1 (0.43) CYP3A4ALDH1A1TDP1LMNAMEN1
SCHEMBL11761457 0.80 MEN1 (0.33) CYP3A4MEN1ALOX15KMT2A
SCHEMBL11547425 0.79 ALDH1A1 (0.42) CYP3A4ALDH1A1TDP1LMNAMEN1
SCHEMBL2757911 0.79 CYP3A4 (0.42) CYP3A4ALDH1A1TDP1LMNAMEN1
SCHEMBL3274456 0.79 ALDH1A1 (0.42) CYP3A4ALDH1A1TDP1LMNAMEN1
SCHEMBL10834300 0.79 LMNA (0.52) CYP3A4ALDH1A1TDP1LMNAMEN1
SCHEMBL8306636 0.78 CYP3A4 (0.40) CYP3A4ALDH1A1TDP1LMNAMEN1
SCHEMBL1436756 0.78 MEN1 (0.39) CYP3A4LMNAMEN1ALOX15KMT2A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858790-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US claimed
US-7786107-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US claimed
EP-2040706-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2009-04-01 EP claimed
US-20080033002-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-02-07 US claimed
WO-2008005295-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-10 WO claimed
CN-103229104-A Composition for forming resist underlayer film containing hydroxyl group-containing carbazole novolac resin NISSAN CHEMICAL IND LTD 2013-07-31 CN disclosed
US-7858790-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-7786107-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-20100063021-A9 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2010-03-11 US disclosed
US-7667230-B2 Electronic devices containing acene-thiophene copolymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-02-23 US disclosed
US-7608679-B2 for use in semiconductors, electronics such as organic thin film transistors, light emitting diodes, and photovoltaic cells 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-10-27 US disclosed
EP-2051715-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2009-04-29 EP disclosed
US-20070232781-A1 ACENE-THIOPHENE COPOLYMERS 3M INNOVATIVE PROPERTIES COMPANY 2007-10-04 US disclosed
US-20070228360-A1 ELECTRONIC DEVICES CONTAINING ACENE-THIOPHENE COPOLYMERS 3M INNOVATIVE PROPERTIES COMPANY 2007-10-04 US disclosed
US-4376094-A Method of disinfecting and a method for destroying bacteria and fungi using 2-substituted glutaraldehydes STERLING DRUG INC. (US) 1983-03-08 US disclosed
US-4222963-A Substituted propargyl alcohols, allylic alcohols and unsaturated ketones, and methods for the production thereof KURARAY CO., LTD. (JP) 1980-09-16 US disclosed
US-4179579-A PERFUMES KURARAY CO., LTD. (JP) 1979-12-18 US disclosed
US-4137273-A INSECTICIDES, CHEMICAL INTERMEDIATES ZOECON CORPORATION (US) 1979-01-30 US disclosed
US-4122119-A Process for the production of unsaturated ketones KURARAY CO., LTD. (JP) 1978-10-24 US disclosed
US-4055634-A ALUMINUM ALKOXIDE HOFFMANN-LA ROCHE, INC. (US) 1977-10-25 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 (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-20100063021-A9 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 CYP3A4 1260/4885ALDH1A1 2356/4885TDP1 4014/4885
US-20080033002-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 CYP3A4 1260/4885ALDH1A1 2356/4885TDP1 4014/4885

“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.