SCHEMBL996540

SCHEMBL996540

CC(C)c1cccc[n+]1[O-]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
HDAC8 Q9BY41 2/20 0.34
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
SLC2A1 P11166 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL11256258 0.82 KMT2A (0.42) KMT2AL3MBTL1LMNAHTTHDAC8
SCHEMBL11767521 0.82 L3MBTL1 (0.42) KMT2AL3MBTL1LMNAHTTHDAC8
SCHEMBL31119425 0.82 L3MBTL1 (0.42) KMT2AL3MBTL1LMNAHTTHDAC8
SCHEMBL1979476 0.82 KMT2A (0.46) KMT2AL3MBTL1LMNAHTTHDAC8
SCHEMBL31119438 0.79 KMT2A (0.40) KMT2AL3MBTL1LMNAHTTHDAC8
SCHEMBL10116257 0.79 KMT2A (0.40) KMT2AL3MBTL1LMNAHTTHDAC8
SCHEMBL7412921 0.79 KMT2A (0.40) KMT2AL3MBTL1LMNAHTTHDAC8
SCHEMBL3674235 0.76 LMNA (0.43) KMT2AL3MBTL1LMNAHTTHDAC8
SCHEMBL3626864 0.76 LMNA (0.43) KMT2AL3MBTL1LMNAHTTHDAC8
SCHEMBL27820534 0.76 LMNA (0.43) KMT2AL3MBTL1LMNAHTTHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2023-09-14 US disclosed
US-11702431-B2 Oxo-substituted compound Sumitomo Pharma Co., Ltd. (JP) 2023-07-18 US disclosed
US-9975863-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
US-20180009770-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE 2018-01-11 US disclosed
US-9856265-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2018-01-02 US disclosed
US-9856265-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2018-01-02 US disclosed
US-20170319594-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2017-11-09 US disclosed
US-9744169-B2 Compounds for treatment of fibrosis diseases CUREGENIX, INC. (CN) 2017-08-29 US disclosed
CN-101228169-A Macrocyclic inhibitors of hepatitis c virus TIBOTEC PHARM LTD (IE) 2008-07-23 CN disclosed
EP-1414441-B1 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2008-01-02 EP disclosed
EP-1414797-B1 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2008-01-02 EP disclosed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 US disclosed
EP-1652839-A2 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-05-03 EP disclosed
EP-1227084-B1 DRUG DISCHARGE PUMP INHIBITORS TRINE PHARMACEUTICALS INC (US) 2005-12-14 EP disclosed
CN-1414951-A Drug discharge pump inhibitor FUNDAMENTAL THERAPEUTICAL INC (US) 2003-04-30 CN disclosed
EP-1227084-A1 DRUG DISCHARGE PUMP INHIBITORS Microcide Pharmaceuticals, Inc. (US) 2002-07-31 EP 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 (7 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-11702431-B2 Oxo-substituted compound CYP51A1, OXA1L, O60361 KMT2A 2610/4885L3MBTL1 1189/4885LMNA 1484/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 KMT2A 1031/4885L3MBTL1 3452/4885LMNA 3518/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 KMT2A 1031/4885L3MBTL1 3452/4885LMNA 3518/4885
US-20180009770-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 KMT2A 4039/4885L3MBTL1 2652/4885LMNA 3678/4885
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND CYP51A1, OXA1L, O60361 KMT2A 2610/4885L3MBTL1 1189/4885LMNA 1484/4885
US-20070054892-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNQ5 KMT2A 534/4885L3MBTL1 1669/4885LMNA 662/4885
US-20170319594-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR KMT2A 3273/4885L3MBTL1 4615/4885LMNA 3982/4885

“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.