SCHEMBL5256291

SCHEMBL5256291

COc1cc2cc3c(cc2cc1OC)C(=O)OC3=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
CYP3A4 P08684 1/20 0.44
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CA1 P00915 2/20 0.41
CA7 P43166 2/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PGR P06401 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE1C Q14123 1/20 0.40
PDE3A Q14432 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL29557279 0.89 CYP3A4 (0.53) CYP3A4CA1CA7CA12CA2
SCHEMBL2928543 0.89 CYP3A4 (0.53) CYP3A4CA1CA7CA12CA2
SCHEMBL13903446 0.80 CYP3A4 (0.46) CYP3A4ALDH1A1CA1CA7CA12
SCHEMBL10516399 0.79 PDE3B (0.44) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL15119597 0.78 ADORA3 (0.43) CYP3A4CA1CA12CA2CA9
SCHEMBL5251983 0.78 CYP2A6 (0.56) ALDH1A1CA1CA7CA12CA9
SCHEMBL28403462 0.77 KDM4E (0.51) ALDH1A1MEN1KMT2AMAOBPOLB
SCHEMBL11496731 0.75 ALDH1A1 (0.63) MCL1CYP3A4PDE4APDE4BPDE4C
SCHEMBL9079018 0.75 KMT2A (0.49) CYP3A4ALDH1A1PDE1APDE1BPDE3B
SCHEMBL10426890 0.74 CYP3A4 (0.48) CYP3A4CA1CA7CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839155-B2 Organic semiconducting compounds RAYNERGY TEK INC. (TW) 2023-12-05 US disclosed
US-11839155-B2 Organic semiconducting compounds RAYNERGY TEK INC. (TW) 2023-12-05 US disclosed
US-11839155-B2 Organic semiconducting compounds RAYNERGY TEK INC. (TW) 2023-12-05 US disclosed
US-20220320445-A1 ORGANIC SEMICONDUCTING COMPOUNDS RAYNERGY TEK INC. (TW) 2022-10-06 US disclosed
US-11008282-B2 Bicyclic-compounds for use as a medicament, in particular for treatment of parkinson's disease KOESTER HUBERT (CH) 2021-05-18 US disclosed
WO-2017103278-A1 NOVEL BICYCLIC-COMPOUNDS FOR USE AS A MEDICAMENT, IN PARTICULAR FOR TREATMENT OF PARKINSON'S DISEASE CAPROTEC BIOANALYTICS GMBH (DE) 2017-06-22 WO disclosed
EP-1242382-B1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-02-07 EP disclosed
US-20060247217-A1 Tricyclic protein kinase inhibitors BERGER DAN M 2006-11-02 US disclosed
US-7105531-B2 Tricyclic protein kinase inhibitors WYETH (US) 2006-09-12 US disclosed
US-20040110762-A1 Tricyclic protein kinase inhibitors WYETH 2004-06-10 US disclosed
US-6638929-B2 Compounds containing nicotinonitrile rings; anticarcinogenic and -tumor agents; polycystic kidney disease and colonic polyps; antiproliferative agents; angiogenesis inhibitors; restenosis; atherosclerosis; angiofibromas; hemangiomas; WYETH 2003-10-28 US disclosed
EP-1242382-A1 TRICYCLIC PROTEIN KINASE INHIBITORS Wyeth (US) 2002-09-25 EP disclosed
US-20010051620-A1 Tricyclic protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-13 US disclosed
WO-2001047892-A1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH (US) 2001-07-05 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-11839155-B2 Organic semiconducting compounds OCIAD2, OCIAD1, OSTC MCL1 2121/4885CYP3A4 150/4885PDE4A 3442/4885
US-20040110762-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 MCL1 155/4885CYP3A4 1595/4885PDE4A 3344/4885
US-20060247217-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 MCL1 181/4885CYP3A4 1338/4885PDE4A 3125/4885
US-20010051620-A1 Tricyclic protein kinase inhibitors CDK1, CHEK1, ABL1 MCL1 511/4885CYP3A4 2811/4885PDE4A 2015/4885
US-20220320445-A1 ORGANIC SEMICONDUCTING COMPOUNDS OCIAD2, OCIAD1, OSTC MCL1 2121/4885CYP3A4 150/4885PDE4A 3442/4885
US-11008282-B2 Bicyclic-compounds for use as a medicament, in particular for treatment of parkinson's disease COMT, PNMT, DBH MCL1 4567/4885CYP3A4 133/4885PDE4A 2661/4885

“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.