SCHEMBL3229871

SCHEMBL3229871

Cc1cc(C(C)(C)C)oc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
NPSR1 Q6W5P4 6/20 0.62
ALDH1A1 P00352 2/20 0.62
TSHR P16473 1/20 0.62
TP53 P04637 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
MAPK14 Q16539 2/20 0.38
RAF1 P04049 1/20 0.38
HCRTR1 O43613 1/20 0.38
ALOX15 P16050 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
SCHEMBL12868348 0.82 MEN1 (0.70) MEN1KMT2ANPSR1ALDH1A1TSHR
SCHEMBL10308321 0.79 MEN1 (0.66) MEN1KMT2ANPSR1ALDH1A1TSHR
SCHEMBL6942194 0.74 KMT2A (0.59) MEN1KMT2AALDH1A1APEX1MAPT
SCHEMBL7376159 0.74 KMT2A (0.59) MEN1KMT2AALDH1A1RAB9AAPEX1
SCHEMBL15349677 0.72 KMT2A (0.57) MEN1KMT2ANPSR1ALDH1A1TSHR
SCHEMBL28443819 0.72 KMT2A (0.57) MEN1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL572624 0.72 L3MBTL1 (0.70) MEN1KMT2ANPSR1ALDH1A1TSHR
SCHEMBL17790210 0.72 KMT2A (0.56) MEN1KMT2ANPSR1ALDH1A1TSHR
SCHEMBL4367459 0.71 KMT2A (0.55) MEN1KMT2AALDH1A1TSHRPOLB
SCHEMBL9310899 0.71 KMT2A (0.55) MEN1KMT2ANPSR1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758892-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-10-17 EP claimed
CN-1960988-B Compounds and compositions as protein kinase inhibitors IRM LLC 2012-01-25 CN claimed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 US claimed
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-27 US claimed
CN-1960988-A Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2007-05-09 CN claimed
EP-1758892-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-03-07 EP claimed
WO-2005123719-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-12-29 WO claimed
US-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-24 US disclosed
WO-2014172616-A2 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-23 WO disclosed
EP-1758892-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-10-17 EP disclosed
CN-1960988-B Compounds and compositions as protein kinase inhibitors IRM LLC 2012-01-25 CN disclosed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 US disclosed
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-27 US disclosed
CN-1960988-A Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2007-05-09 CN disclosed
EP-1758892-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-03-07 EP disclosed
WO-2005123719-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-12-29 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 (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-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS SMN1; SMN2, SOD1, NEFM MEN1 3062/4885KMT2A 2164/4885NPSR1 4541/4885
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors BMX, PTK2B, SRC MEN1 4113/4885KMT2A 2067/4885NPSR1 2169/4885

“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.