SCHEMBL459430

SCHEMBL459430

CCc1ccc(CC(C)C)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 5/20 0.33
FBP1 P09467 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
GAA P10253 2/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL407650 0.90 POLB (0.39) RAB9ANPC1POLBL3MBTL1ALOX5
SCHEMBL20620458 0.82 ALOX5 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL45858 0.82
SCHEMBL13541829 0.79 ALDH1A1 (0.42) RAB9ANPC1POLBL3MBTL1ALDH1A1
SCHEMBL19395990 0.79 TAAR1 (0.41) POLBL3MBTL1
SCHEMBL19600570 0.77 NPC1 (0.34) RAB9ANPC1POLBL3MBTL1ALDH1A1
SCHEMBL16213682 0.76 NPC1 (0.36) RAB9ANPC1POLBL3MBTL1ALOX5
SCHEMBL104309 0.76 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8294313 0.76 ACHE (0.57)
SCHEMBL19396014 0.76 POLB (0.36) RAB9ANPC1POLBL3MBTL1ALDH1A1

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
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
US-20180072731-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY MITOKININ, INC. 2018-03-15 US disclosed
US-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE Mitokinin, LLC (US) 2017-07-06 US disclosed
US-20160108044-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY MITOKININ, INC. 2016-04-21 US disclosed
EP-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 EP disclosed
US-8304428-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY DISCOVERY, INC. (US) 2012-11-06 US disclosed
US-20110160259-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY DISCOVERY, INC. (US) 2011-06-30 US disclosed
US-20110118298-A1 COMPOSITIONS, KITS, AND METHODS FOR IDENTIFICATION, ASSESSMENT, PREVENTION, AND THERAPY OF CANCER INFINITY PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
US-20100190791-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY PHARMACEUTICALS, INC. (US) 2010-07-29 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 (6 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-20180072731-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY PINK1, CKMT1A; CKMT1B, NLN CHRM2 2722/4885CHRM4 3043/4885CHRM5 3131/4885
US-20160108044-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY PINK1, CKMT1A; CKMT1B, NLN CHRM2 2722/4885CHRM4 3043/4885CHRM5 3131/4885
US-20110118298-A1 COMPOSITIONS, KITS, AND METHODS FOR IDENTIFICATION, ASSESSMENT, PREVENTION, AND THERAPY OF CANCER HSP90AB1, HSP90AA1, HSP90B1 CHRM2 4882/4885CHRM4 4884/4885CHRM5 4881/4885
US-20100190791-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL3, BCL2, BCL2L1 CHRM2 4884/4885CHRM4 4879/4885CHRM5 4880/4885
US-20110160259-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL3, BCL2, BCLAF1 CHRM2 4881/4885CHRM4 4873/4885CHRM5 4871/4885
US-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, MT-ND2 CHRM2 1911/4885CHRM4 2473/4885CHRM5 2363/4885

“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.