SCHEMBL3229079

SCHEMBL3229079

COC(=O)c1ccc(C(C)(C)C)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
MEN1 O00255 2/20 0.51
CYP1A2 P05177 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 2/20 0.51
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MITF O75030 1/20 0.49
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SETD7 Q8WTS6 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL12019021 0.89 HTT (0.55) HTTMEN1CYP1A2KMT2ACYP2C19
SCHEMBL7366271 0.87 HTT (0.53) HTTMEN1CYP1A2KMT2ACYP2C19
SCHEMBL13401451 0.85 HTT (0.55) HTTMEN1CYP1A2KMT2ACYP2C19
SCHEMBL12017375 0.82 MEN1 (0.50) HTTMEN1CYP1A2KMT2ACYP2C19
SCHEMBL24479151 0.82 ALDH1A1 (0.53) HTTMEN1CYP1A2KMT2ACYP2C19
SCHEMBL4197412 0.81 HTT (0.47) HTTMEN1CYP1A2KMT2ACYP2C19
SCHEMBL69791 0.81 HTT (0.69) HTTMEN1CYP1A2KMT2ACYP2C19
SCHEMBL13753380 0.80 NPC1 (0.53) HTTMEN1CYP1A2KMT2ACYP2C19
SCHEMBL21981938 0.79 HTT (0.67) HTTMEN1CYP1A2KMT2ACYP2C19
SCHEMBL12988195 0.78 MITF (0.49) MEN1KMT2ATSHRALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114685408-B Preparation method of alkyl furan compound 华南理工大学 2024-04-23 CN disclosed
CN-114685408-A Preparation method of alkyl furan compound 华南理工大学 2022-07-01 CN disclosed
EP-2552905-B1 B-Raf kinase inhibitors BOEHRINGER INGELHEIM INT (DE) 2016-10-05 EP disclosed
US-9290507-B2 B-RAF kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-22 US disclosed
EP-2552907-B1 PYRIDYLTRIAZOLES BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-8865703-B2 Pyridyltriazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US disclosed
US-20130225562-A1 PYRIDYLTRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
US-20130190286-A1 B-RAF KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-25 US disclosed
US-20120178780-A1 RAF KINASE INHIBITORS WOOD JILL E (US) 2012-07-12 US disclosed
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 US disclosed
US-20020103253-A1 Inhibition of p38 kinase activity by aryl ureas BAYER CORPORATION (US) 2002-08-01 US disclosed
US-6344476-B1 Inhibition of p38 kinase activity by aryl ureas BAYER CORPORATION 2002-02-05 US disclosed
US-20010006975-A1 Raf kinase inhibitors BAYER CORPORATION AND ONYX PHARMACEUTICALS WEST HAVEN, CT AND RICHMOND, CA, RESPECTIVELY 2001-07-05 US disclosed
EP-0986382-A4 RAF KINASE INHIBITORS BAYER AG (US) 2001-04-11 EP disclosed
US-6187799-B1 TREATING CANCEROUS CELL GROWTH MEDIATED BY RAF KINASE BY ADMINISTERING SPECIFIED COMPOUNDS, SUCH AS 2-(METHYOXYCARBONYL),3-((4-METHYLPHENYL)UREA),5-ALKYL-THIOPHENE ONYX PHARMACEUTICALS 2001-02-13 US disclosed
EP-1019040-A4 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER AG (US) 2000-10-04 EP disclosed
EP-1019040-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS Bayer Corporation (US) 2000-07-19 EP disclosed
EP-0986382-A1 RAF KINASE INHIBITORS Bayer Corporation (US) 2000-03-22 EP disclosed
WO-1998052558-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER CORPORATION (US) 1998-11-26 WO disclosed
WO-1998052559-A1 RAF KINASE INHIBITORS BAYER CORPORATION (US) 1998-11-26 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 (6 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-20020103253-A1 Inhibition of p38 kinase activity by aryl ureas MAPK1, MAP3K1, MAP3K7 HTT 2700/4885MEN1 4239/4885CYP1A2 882/4885
US-20130225562-A1 PYRIDYLTRIAZOLES CCNT1, CCNT2, MKI67 HTT 3019/4885MEN1 455/4885CYP1A2 221/4885
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES ASIC1, ASIC3, TRPV1 HTT 615/4885MEN1 3322/4885CYP1A2 1795/4885
US-20130190286-A1 B-RAF KINASE INHIBITORS BRAF, RAF1, ARAF HTT 4796/4885MEN1 869/4885CYP1A2 2506/4885
US-20120178780-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF HTT 4540/4885MEN1 2219/4885CYP1A2 4647/4885
US-20010006975-A1 Raf kinase inhibitors BRAF, RAF1, ARAF HTT 4540/4885MEN1 2219/4885CYP1A2 4647/4885

“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.