SCHEMBL2799192

SCHEMBL2799192

COc1ccc(C=O)c(C(=O)O)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.52
▸ MEN1 O00255 6/20 0.52
▸ MAPT P10636 5/20 0.50
▸ HTT P42858 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ERN1 O75460 1/20 0.46
▸ LMNA P02545 1/20 0.46

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
SCHEMBL29952661 1.00 KMT2A (0.52) KMT2AMEN1MAPTHTTTDP1
SCHEMBL7304908 0.85 ABCG2 (0.45) KMT2AMEN1MAPTTDP1SMN1; SMN2
SCHEMBL28495977 0.85 ABCG2 (0.45) KMT2AMEN1MAPTHTTL3MBTL1
SCHEMBL6552902 0.83 CA1 (0.54) KMT2AMEN1MAPTHTTTDP1
SCHEMBL4849364 0.81 CA12 (0.63) KMT2AMEN1MAPTHTTTDP1
SCHEMBL2316440 0.81 CTSD (0.44) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2800867 0.80 KMT2A (0.54) KMT2AMEN1MAPTHTTTDP1
SCHEMBL5236934 0.80 LMNA (0.46) KMT2AMEN1MAPTL3MBTL1SMN1; SMN2
SCHEMBL18188993 0.78 ABCG2 (0.49) KMT2AMEN1MAPTTDP1SMN1; SMN2
SCHEMBL31474876 0.77 ALDH1A1 (0.56) KMT2AMAPTTDP1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112110932-A Method for synthesizing phthalide tetrahydroisoquinoline compound by tandem cyclization strategy 沈阳药科大学 2020-12-22 — — CN claimed
CN-108264488-A A kind of preparation method for replacing phthalazone class compound 天津瑞岭化工有限公司 2018-07-10 — — CN claimed
EP-2245132-B1 ENCAPSULATED BENEFIT AGENT UNILEVER PLC NO 41424 (GB) 2017-10-18 — — EP claimed
CN-102015993-B Encapsulated benefit agent UNILEVER PLC 2013-03-27 — — CN claimed
EP-2245132-A1 ENCAPSULATED BENEFIT AGENT Unilever Plc, A Company Registered In England And Wales under company no. 41424 of Unilever House (GB) 2010-11-03 — — EP claimed
WO-2009103576-A1 ENCAPSULATED BENEFIT AGENT UNILEVER PLC (GB) 2009-08-27 — — WO claimed
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. 2003-07-03 — — US claimed
EP-3538529-B1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-KB PATHWAYS MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN HELMHOLTZ GEMEINSCHAFT (DE) 2022-01-19 — — EP disclosed
CN-112110932-B Method for synthesizing phthalide tetrahydroisoquinoline compound by tandem cyclization strategy 沈阳药科大学 2021-12-28 — — CN disclosed
US-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2021-06-08 — — US disclosed
US-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2021-06-08 — — US disclosed
CN-112110932-A Method for synthesizing phthalide tetrahydroisoquinoline compound by tandem cyclization strategy 沈阳药科大学 2020-12-22 — — CN disclosed
US-10702515-B2 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. (US) 2020-07-07 — — US disclosed
EP-0745434-A1 Organic composite coated steel sheet and method KAWASAKI STEEL CORPORATION (JP) 1996-12-04 — — EP disclosed
CN-1108244-A Lactone compound and process of production thereof TEIJIN LTD (JP) 1995-09-13 — — CN disclosed
US-4775675-A Thiazolidinecarboxylic acid derivatives and treatment of liver diseases therewith BIOGAL GYOGYSZERGYAR (HU) 1988-10-04 — — US disclosed
US-4590193-A 3-(2-(4-phenylpiperazinylethyl)anilino)-isobenzofuranones, their method of preparation and their use as antihypertensive and antiallergic drugs SOCIETE CORTIAL, S.A. (FR) 1986-05-20 — — US disclosed
US-4303548-A Process for coating dispersed minute droplets with membrane MITSUBISHI PAPER MILLS, LTD. (JP) 1981-12-01 — — US disclosed
US-4289781-A Anti-psychotic phthalimidine derivatives ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1981-09-15 — — US disclosed
EP-0026749-A1 Phthalimidine derivatives and pharmaceutical compositions containing them Astra Läkemedel Aktiebolag (SE) 1981-04-08 — — EP 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 (3 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-10702515-B2 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 KMT2A 2677/4885MEN1 4842/4885MAPT 333/4885
US-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways IKBKB, NFKBIA, IKBKE KMT2A 2389/4885MEN1 3320/4885MAPT 2979/4885
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 KMT2A 2677/4885MEN1 4842/4885MAPT 333/4885

“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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