SCHEMBL563973

SCHEMBL563973

COc1ccc(O)cc1C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HPGD P15428 3/20 0.56
CYP3A4 P08684 3/20 0.56
MAPK1 P28482 3/20 0.56
HTT P42858 3/20 0.55
SIRT1 Q96EB6 1/20 0.53
MAPT P10636 6/20 0.50
HSD17B10 Q99714 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAOB P27338 1/20 0.50
GFER P55789 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
LMNA P02545 4/20 0.48
KDM4E B2RXH2 3/20 0.48

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
SCHEMBL29581343 0.84 MAPT (0.68) ALDH1A1HPGDCYP3A4MAPK1HTT
SCHEMBL885028 0.84 MAPT (0.68) ALDH1A1HPGDCYP3A4MAPK1HTT
Isopeonol SCHEMBL29757918 0.84 MAOB (0.57) ALDH1A1HPGDCYP3A4MAPK1HTT
Isopeonol SCHEMBL3713802 0.84 MAOB (0.57) ALDH1A1HPGDCYP3A4MAPK1HTT
SCHEMBL536099 0.84 CA12 (0.55) ALDH1A1HPGDSIRT1MAPTHSD17B10
Isopeonol SCHEMBL1376231 0.84 MAOB (0.57) ALDH1A1HPGDCYP3A4MAPK1HTT
SCHEMBL31009365 0.82 CA12 (0.67) ALDH1A1HPGDCYP3A4MAPK1HTT
SCHEMBL12509335 0.82 SIRT1 (0.51) ALDH1A1HPGDCYP3A4MAPK1HTT
SCHEMBL7619139 0.82 CA12 (0.67) ALDH1A1HPGDCYP3A4MAPK1HTT
SCHEMBL9021036 0.82 SIRT1 (0.51) ALDH1A1HPGDCYP3A4MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114105753-B Fisetin derivative and application thereof in preparation of anti-inflammatory drugs 温州医科大学 2024-02-20 CN disclosed
CN-114105753-A Fisetin derivative and application thereof in preparation of anti-inflammatory drugs 温州医科大学 2022-03-01 CN disclosed
US-20170001970-A1 Substituted benzohydrazide analogs as histone demethylase inhibitors UNIV UTAH RES FOUND (US) 2017-01-05 US disclosed
US-20170001970-A1 Substituted benzohydrazide analogs as histone demethylase inhibitors UNIV UTAH RES FOUND (US) 2017-01-05 US disclosed
US-20170001970-A1 Substituted benzohydrazide analogs as histone demethylase inhibitors UNIV UTAH RES FOUND (US) 2017-01-05 US disclosed
US-8436036-B2 Diaryl ethers JANSSEN R&D IRELAND (IE) 2013-05-07 US disclosed
EP-2421855-A1 DIARYL ETHERS Tibotec Pharmaceuticals (IE) 2012-02-29 EP disclosed
US-20120034678-A1 Diaryl Ethers JANSSEN SCIENCES IRELAND UC (IE) 2012-02-09 US disclosed
WO-2010122162-A1 DIARYL ETHERS TIBOTEC PHARMACEUTICALS (IE) 2010-10-28 WO disclosed
US-5061798-A Intermediates in the formation of synthetic hormones, mimic effects of thyroid hormones; little or no effect on the heart SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1991-10-29 US disclosed
EP-0188351-B1 CHEMICAL COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-03-13 EP disclosed
US-4910305-A Containing a protected 4-hydroxyphenyl SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-03-20 US disclosed
US-4826876-A WITHOUT EFFECT ON HEART SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-05-02 US disclosed
US-4766121-A NOT AFFECTING THE HEART SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1988-08-23 US disclosed
EP-0188351-A2 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-07-23 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 (2 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-20120034678-A1 Diaryl Ethers SLC10A1, CYP2F1, UGT1A1 ALDH1A1 325/4885HPGD 1628/4885CYP3A4 58/4885
US-20170001970-A1 Substituted benzohydrazide analogs as histone demethylase inhibitors KDM1B, KDM2A, KDM1A ALDH1A1 1174/4885HPGD 1383/4885CYP3A4 3265/4885

“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.