SCHEMBL8604696

SCHEMBL8604696

COc1ccc2c(c1)NC(C)(C)CC2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ PGR P06401 4/20 0.47
▸ HTR2C P28335 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HTR2B P41595 2/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ AR P10275 3/20 0.40
▸ NR3C1 P04150 1/20 0.39
▸ NR3C2 P08235 1/20 0.39
▸ ATM Q13315 1/20 0.38

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
SCHEMBL31476366 0.89 ALDH1A1 (0.49) ALDH1A1RAB9AMEN1KMT2AUSP2
SCHEMBL10840878 0.88 ALDH1A1 (0.58) ALDH1A1RAB9AMEN1KMT2AUSP2
SCHEMBL11431954 0.84 ALDH1A1 (0.46) ALDH1A1RAB9AMEN1KMT2AUSP2
SCHEMBL29837461 0.79 ALDH1A1 (0.51) ALDH1A1RAB9AMEN1KMT2AUSP2
SCHEMBL6141613 0.79 ALDH1A1 (0.51) ALDH1A1RAB9AMEN1KMT2AUSP2
SCHEMBL11417149 0.78 ALDH1A1 (0.50) ALDH1A1RAB9AMEN1KMT2AUSP2
SCHEMBL6653007 0.78 ALDH1A1 (0.50) ALDH1A1RAB9AMEN1KMT2AUSP2
SCHEMBL8518452 0.78 ALDH1A1 (0.50) ALDH1A1RAB9AMEN1KMT2AUSP2
SCHEMBL1934505 0.78 ALDH1A1 (0.50) ALDH1A1RAB9AMEN1KMT2AUSP2
SCHEMBL30973127 0.77 ALDH1A1 (0.60) ALDH1A1RAB9AMEN1KMT2AUSP2

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
US-10684294-B2 Diarylether-based fluorogenic probes for detection of hypochlorous acid or hydroxyl radical THE UNIVERSITY OF HONG KONG (HK) 2020-06-16 — — US disclosed
US-20160312033-A1 DIARYLETHER-BASED FLUOROGENIC PROBES FOR DETECTION OF HYPOCHLOROUS ACID OR HYDROXYL RADICAL VERSITECH LIMITED (HK) 2016-10-27 — — US disclosed
US-5750409-A MARKERS FOR HAPTEN-ANTIBODY-PROTEIN CONJUGATES BOEHRINGER MANNHEIM GMBH (DE) 1998-05-12 — — US disclosed
EP-0567622-B1 NEW PENTACYCLIC COMPOUNDS AND THEIR USE AS ABSORPTION OR FLUORESCENCE DYES BOEHRINGER MANNHEIM GMBH (DE) 1996-04-24 — — EP disclosed
WO-1993010189-A1 NEW PENTACYCLIC COMPOUNDS AND THEIR USE AS ABSORPTION OR FLUORESCENCE DYES BOEHRINGER MANNHEIM GMBH (DE) 1993-05-27 — — WO disclosed
EP-0543333-A1 New pentacyclic compounds and their use as absorption or fluorescence dyestuffs Roche Diagnostics GmbH (DE) 1993-05-26 — — EP disclosed
US-4185151-A 1-R-2-(U-HYDROXYALKYL-2,2,4-TRIMETHYL TETRAHYDROQUINOL-6-YL) BENZ(CD)INDOLES BAYER AKTIENGESELLSCHAFT (DE) 1980-01-22 — — US disclosed
US-4000141-A SUBSTITUTED TETRAHYDRO QUINOLINE CATIONIC DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 — — US disclosed
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 — — 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-20160312033-A1 DIARYLETHER-BASED FLUOROGENIC PROBES FOR DETECTION OF HYPOCHLOROUS ACID OR HYDROXYL RADICAL HAGH, HADH, FECH ALDH1A1 334/4885RAB9A 2117/4885MEN1 2287/4885
US-10684294-B2 Diarylether-based fluorogenic probes for detection of hypochlorous acid or hydroxyl radical HAGH, HADH, FECH ALDH1A1 334/4885RAB9A 2117/4885MEN1 2287/4885

“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.

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