SCHEMBL6764109

SCHEMBL6764109

CC1(COC(=O)c2ccco2)COC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 1/20 0.46
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
MAPK10 P53779 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 1/20 0.45
GLA P06280 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL14839397 0.78 ESR1 (0.42) KMT2AALDH1A1NPC1MEN1POLB
SCHEMBL5375326 0.77 LMNA (0.49) KMT2AALDH1A1NPC1TSHRLMNA
SCHEMBL14839374 0.76 L3MBTL1 (0.41) ALDH1A1NPC1KDM4EL3MBTL1TSHR
SCHEMBL859237 0.74 NPC1 (0.61) HTTKMT2AALDH1A1NPC1MEN1
SCHEMBL11039202 0.73 ALDH1A1 (0.62) HTTKMT2AALDH1A1NPC1MEN1
SCHEMBL25439968 0.73 MAPT (0.45) ALDH1A1NPC1SMN1; SMN2TSHRLMNA
SCHEMBL26330111 0.73 NPC1 (0.49) KMT2AALDH1A1NPC1MEN1KDM4E
SCHEMBL26328801 0.73 RAB9A (0.49) KMT2AALDH1A1NPC1GAA
SCHEMBL26328803 0.73 MAPK1 (0.38) KMT2AALDH1A1NPC1L3MBTL1SMN1; SMN2
SCHEMBL28204092 0.73 NPC1 (0.60) HTTKMT2AALDH1A1NPC1MEN1

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
US-6828320-B2 Enzyme inhibitors; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-12-07 US disclosed
US-6723726-B1 Protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-04-20 US disclosed
EP-0912570-B1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2003-09-10 EP disclosed
EP-1304110-A2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LIMITED (GB) 2003-04-23 EP disclosed
EP-0912559-B1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2002-11-06 EP disclosed
US-20020147214-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US disclosed
US-6174889-B1 PROTEIN TYROSINE KINASE INHIBITORS RELATED TO BIOISOSTERES OF QUINOLINE AND QUINAZOLINE DERIVATIVES; ANTICARCINOGENIC AND -TUMOR AGENTS; PSORIASIS; RESTENOSIS; RHEUMATOID ARTHRITIS, AUTOIMMUNE DISEASE, ALLERGY, ASTHMA AND GRAFT REJECTION GLAXO WELLCOME INC. 2001-01-16 US disclosed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
EP-0912570-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
WO-1998002438-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO disclosed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 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 (1 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-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK HTT 1103/4885KMT2A 1161/4885ALDH1A1 4024/4885

“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.