SCHEMBL5477791

SCHEMBL5477791

CCCCOc1ccc(Cl)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
TDP1 Q9NUW8 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 2/20 0.59
GLA P06280 1/20 0.59
HPGD P15428 5/20 0.59
TSHR P16473 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
S1PR4 O95977 6/20 0.58
MAPK1 P28482 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
CYP2C19 P33261 1/20 0.55
THPO P40225 1/20 0.55
HIF1A Q16665 1/20 0.55

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
SCHEMBL15894111 0.94 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1SMN1; SMN2MAPT
SCHEMBL15894082 0.93 ALDH1A1 (0.60) ALDH1A1TDP1L3MBTL1SMN1; SMN2MAPT
SCHEMBL15894081 0.93 ALDH1A1 (0.60) ALDH1A1TDP1L3MBTL1SMN1; SMN2MAPT
SCHEMBL257320 0.90 CSNK2A1 (0.64) ALDH1A1TDP1L3MBTL1SMN1; SMN2MAPT
SCHEMBL3794601 0.86 L3MBTL1 (0.53) ALDH1A1TDP1L3MBTL1SMN1; SMN2MAPT
SCHEMBL11413525 0.86 S1PR4 (0.66) TDP1MAPTS1PR4
SCHEMBL17546739 0.85 ALDH1A1 (0.57) ALDH1A1TDP1L3MBTL1SMN1; SMN2MAPT
SCHEMBL3785500 0.85 SMN1; SMN2 (0.59) ALDH1A1TDP1L3MBTL1SMN1; SMN2MAPT
SCHEMBL7237501 0.84 MAPT (0.58) ALDH1A1TDP1SMN1; SMN2MAPTHPGD
SCHEMBL29435284 0.84 ALDH1A1 (0.78) ALDH1A1TDP1L3MBTL1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023168484-A1 \"COMPOUNDS AND METHODS\ DemAgtech Pty Ltd (AU) 2023-09-14 WO disclosed
WO-2019179288-A2 PREPARATION METHOD FOR CHLOROPHENOXYCARBOXYLATE 山东润博生物科技有限公司 2019-09-26 WO disclosed
WO-2019179291-A2 PREPARATION METHOD FOR CHLOROPHENOXYCARBOXYLATE 山东润博生物科技有限公司 2019-09-26 WO disclosed
US-9675620-B2 MAO inhibitors and their conjugates as therapeutics for the treatment of brain cancer UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-06-13 US disclosed
US-20170029371-A1 MAO INHIBITORS AND THEIR CONJUGATES AS THERAPEUTICS FOR THE TREATMENT OF BRAIN CANCER UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-02-02 US disclosed
US-20160339034-A9 MAO Inhibitors and Their Conjugates as Therapeutics For The Treatment of Brain Cancer UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-11-24 US disclosed
WO-2015129813-A1 DEUTERATION METHOD AND DEUTERATION CATALYST 国立大学法人 長崎大学 2015-09-03 WO disclosed
US-20150209361-A1 MAO Inhibitors and Their Conjugates as Therapeutics For The Treatment of Brain Cancer UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2015-07-30 US disclosed
WO-2014113495-A1 ACTIVATION OR REACTIVATION OF ACHE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-07-24 WO disclosed
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors WYETH 2007-12-13 US disclosed
EP-1817958-A1 Herbicidal mixtures BASF AKTIENGESELLSCHAFT (DE) 2007-08-15 EP disclosed
WO-2004002483-A1 SUBSTITUTED 3- AND 4- AMINOMETHYLPIPERIDINES FOR USE AS BETA-SECRETASE IN THE TREATMENT OF ALZHEIMER’S DISEASE ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 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 (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-20170029371-A1 MAO INHIBITORS AND THEIR CONJUGATES AS THERAPEUTICS FOR THE TREATMENT OF BRAIN CANCER MAOA, MAOB, COMT ALDH1A1 413/4885TDP1 1116/4885L3MBTL1 3733/4885
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K6 ALDH1A1 3084/4885TDP1 966/4885L3MBTL1 2767/4885
US-20150209361-A1 MAO Inhibitors and Their Conjugates as Therapeutics For The Treatment of Brain Cancer MAOA, MAOB, COMT ALDH1A1 413/4885TDP1 1116/4885L3MBTL1 3733/4885
US-20160339034-A9 MAO Inhibitors and Their Conjugates as Therapeutics For The Treatment of Brain Cancer MAOA, MAOB, COMT ALDH1A1 413/4885TDP1 1116/4885L3MBTL1 3733/4885

“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.