SCHEMBL4886295

SCHEMBL4886295

CN(C)c1ccc2c(c1)Cc1cc(N(C)C)ccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 3/20 0.46
TSHR P16473 3/20 0.46
ALOX15 P16050 2/20 0.46
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPT P10636 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HIF1A Q16665 1/20 0.42
APP P05067 2/20 0.41
TERT O14746 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
PDK2 Q15119 1/20 0.40
ADORA1 P30542 1/20 0.39
CRHBP P24387 1/20 0.39

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
SCHEMBL1639476 0.90 CYP1A2 (0.58) ALDH1A1HSD17B10TSHRCYP3A4CYP1A2
SCHEMBL5526134 0.88 PGR (0.46) ALDH1A1HSD17B10TSHRALOX15CYP3A4
Hydrochloric Acid SCHEMBL2868061 0.88 CYP1A2 (0.56) ALDH1A1HSD17B10TSHRCYP3A4CYP1A2
SCHEMBL5531521 0.88 APP (0.55) ALDH1A1HSD17B10TSHRALOX15CYP3A4
SCHEMBL15832856 0.88 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRALOX15CYP3A4
SCHEMBL6856826 0.87 MAOA (0.50) ALDH1A1HSD17B10TSHRALOX15CYP3A4
SCHEMBL19213259 0.86 ALDH1A1 (0.42) ALDH1A1HSD17B10TSHRALOX15CYP3A4
SCHEMBL4886479 0.86 ALDH1A1 (0.46) ALDH1A1HSD17B10TSHRALOX15CYP3A4
SCHEMBL29354370 0.86 ALDH1A1 (0.46) ALDH1A1HSD17B10TSHRALOX15CYP3A4
SCHEMBL10715328 0.85 MAOB (0.58) ALDH1A1HSD17B10ALOX15CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084559-B2 Ethylene-vinylcyclohexane copolymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-27 US disclosed
US-20080161514-A1 Transition Metal Complex, Process For Producing Said Transition Metal Complex, Substituent-Carrying Fluorene Compound, Process For Producing Said Fluorene Compound, Catalyst Component For Olefin Polymerization, Catalyst For Olefin Polymerization, and Process For Producing Olefin Polymer SUMITOMO CHEMICAL COMPANY, LIMTIED (JP) 2008-07-03 US disclosed
US-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2007-11-01 US disclosed
US-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2007-11-01 US disclosed
US-20050271584-A1 Biphenyls and fluorenes as imaging agents in alzheimer's disease THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2005-12-08 US disclosed
US-20050214222-A1 In vivo imaging of amyloid plaques in glaucoma using intravenous injectable dyes NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2005-09-29 US disclosed
EP-1553985-A2 BIPHENYLS AND FLUORENES AS IMAGING AGENTS IN ALZHEIMER'S DISEASE The Trustees of The University of Pennsylvania (US) 2005-07-20 EP disclosed
WO-2004032975-A2 BIPHENYLS AND FLUORENES AS IMAGING AGENTS IN ALZHEIMER'S DISEASE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2004-04-22 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 (3 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-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease APP, BACE1, IAPP ALDH1A1 1209/4885HSD17B10 1585/4885TSHR 4786/4885
US-20050271584-A1 Biphenyls and fluorenes as imaging agents in alzheimer's disease APP, BACE2, BACE1 ALDH1A1 1533/4885HSD17B10 1755/4885TSHR 3575/4885
US-20080161514-A1 Transition Metal Complex, Process For Producing Said Transition Metal Complex, Substituent-Carrying Fluorene Compound, Process For Producing Said Fluorene Compound, Catalyst Component For Olefin Polymerization, Catalyst For Olefin Polymerization, and Process For Producing Olefin Polymer AOC2, ACSL1, ACSL3 ALDH1A1 1292/4885HSD17B10 1356/4885TSHR 3725/4885

“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.