SCHEMBL5877432

SCHEMBL5877432

COc1cc(OC)cc(OBOc2cc(OC)cc(OC)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.65
▸ CYP1A1 P04798 7/20 0.48
▸ CYP1B1 Q16678 7/20 0.48
▸ CYP1A2 P05177 4/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2E1 P05181 2/20 0.42
▸ CYP2C8 P10632 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2A6 P11509 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP4B1 P13584 2/20 0.42
▸ CYP2B6 P20813 2/20 0.42
▸ CYP3A5 P20815 2/20 0.42
▸ CYP2A7 P20853 2/20 0.42
▸ CYP3A7 P24462 2/20 0.42
▸ CYP2F1 P24903 2/20 0.42
▸ CYP2C18 P33260 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2J2 P51589 2/20 0.42
▸ CYP4F2 P78329 2/20 0.42

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
SCHEMBL14120989 0.90 ALDH1A1 (0.52) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL15521815 0.88 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL4043764 0.88 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL16193422 0.82 ALDH1A1 (0.44) ALDH1A1CYP1A1CYP1B1NQO2
1,3,5-Trimethoxybenzene SCHEMBL28493 0.80 ALDH1A1 (1.00) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL22274 0.79 ACHE (0.54) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL30238353 0.79 ACHE (0.54) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL16303509 0.78 ALDH1A1 (0.58) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL1863295 0.78 CYP1A1 (0.48) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
1,3,5-Trimethoxybenzene SCHEMBL28740008 0.77 ALDH1A1 (0.92) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109305895-A The method for preparing spirofluorene derivative unimolecule resin using one still process 深圳前海广宇天骥科技有限公司 2019-02-05 — — CN claimed
CN-103804196-B Star-shaped adamantane derivative molecular glass and preparation method and application thereof 中国科学院理化技术研究所 2016-08-31 — — CN claimed
CN-104557552-B Star-shaped tetraphenylethylene derivative molecular glass, positive photoresist coating and application thereof 中国科学院理化技术研究所 2016-08-31 — — CN claimed
CN-104557552-A Star-shaped tetraphenylethylene derivative molecular glass, positive photoresist coating and application thereof CHINESE ACAD TECH INST PHYSICS 2015-04-29 — — CN claimed
US-11993604-B2 Substituted pyrazolo[4,3-H]quinazolines as protein kinase inhibitors SHENGKE PHARMACEUTICALS (JIANGSU) LTD. (CN) 2024-05-28 — — US disclosed
US-20220389008-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 — — US disclosed
EP-4038067-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-08-10 — — EP disclosed
US-20220227775-A1 1H-PYRAZOLO[4,3-H]QUINAZOLINE COMPOUND SERVING AS PROTEIN KINASE INHIBITOR SHENGKE PHARMACEUTICALS (JIANGSU) LTD. (CN) 2022-07-21 — — US disclosed
EP-3666774-B1 1H-PYRAZOLO[4,3-H]QUINAZOLINE COMPOUND SERVING AS PROTEIN KINASE INHIBITOR SHENGKE PHARMACEUTICALS JIANGSU LTD (CN) 2022-05-11 — — EP disclosed
US-11319323-B2 Substituted pyrazolo[4,3-H]quinazolines as protein kinase inhibitors SHENGKE PHARMACEUTICALS (JIANGSU) LTD. (CN) 2022-05-03 — — US disclosed
US-20210147424-A1 1H-PYRAZOLO[4,3-H]QUINAZOLINE COMPOUND SERVING AS PROTEIN KINASE INHIBITOR SHENGKE PHARMACEUTICALS (JIANGSU) LTD. (CN) 2021-05-20 — — US disclosed
WO-2021063914-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2021-04-08 — — WO disclosed
US-6900213-B2 Bisaryl derivatives having FSH modulatory activity PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2005-05-31 — — US disclosed
US-6890930-B1 Quinazolinones 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-05-10 — — US disclosed
EP-1351941-B1 BISARYL DERIVATIVES HAVING FSH RECEPTOR MODULATORY ACTIVITY PHARMACOPEIA INC (US) 2004-09-29 — — EP disclosed
US-20040152703-A1 Bisaryl derivatives having FSH modulatory activity PHARMACOPEIA, LLC 2004-08-05 — — US disclosed
EP-1351941-A1 BISARYL DERIVATIVES HAVING FSH RECEPTOR MODULATORY ACTIVITY PHARMACOPEIA, INC. (US) 2003-10-15 — — EP disclosed
WO-2002070493-A1 BISARYL DERIVATIVES HAVING FSH RECEPTOR MODULATORY ACTIVITY PHARMACOPEIA, INC. (US) 2002-09-12 — — WO disclosed
EP-1216235-A1 QUINAZOLINONES MERCK PATENT GmbH (DE) 2002-06-26 — — EP disclosed
WO-2001023365-A1 QUINAZOLINONES MERCK PATENT GMBH (DE) 2001-04-05 — — 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-11993604-B2 Substituted pyrazolo[4,3-H]quinazolines as protein kinase inhibitors CDK1, CDK2, CDK3 ALDH1A1 3796/4885CYP1A1 2208/4885CYP1B1 2474/4885
US-20040152703-A1 Bisaryl derivatives having FSH modulatory activity FSHR, GNRHR, LHCGR ALDH1A1 1222/4885CYP1A1 314/4885CYP1B1 228/4885
US-20220227775-A1 1H-PYRAZOLO[4,3-H]QUINAZOLINE COMPOUND SERVING AS PROTEIN KINASE INHIBITOR CDK1, CDKL1, CDK2 ALDH1A1 3252/4885CYP1A1 2047/4885CYP1B1 2334/4885
US-20210147424-A1 1H-PYRAZOLO[4,3-H]QUINAZOLINE COMPOUND SERVING AS PROTEIN KINASE INHIBITOR CDK1, CDKL1, CDK2 ALDH1A1 3252/4885CYP1A1 2047/4885CYP1B1 2334/4885
US-11319323-B2 Substituted pyrazolo[4,3-H]quinazolines as protein kinase inhibitors CDK1, CDK2, CDK3 ALDH1A1 3796/4885CYP1A1 2208/4885CYP1B1 2474/4885
US-20220389008-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS NQO2, NDUFS3, QARS1 ALDH1A1 1097/4885CYP1A1 1869/4885CYP1B1 1463/4885

“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.

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