SCHEMBL5445458

SCHEMBL5445458

COCOc1ccc(C(C)=O)c(OCOC)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 3/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 1/20 0.46
MAOB P27338 6/20 0.45
MAPT P10636 4/20 0.44
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOA P21397 3/20 0.43
TSHR P16473 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PPARD Q03181 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 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
SCHEMBL31088170 1.00 KDM4E (0.49) KDM4EALDH1A1CYP3A4HPGDMAPK1
SCHEMBL4215199 0.92 ALDH1A1 (0.57) ALDH1A1CYP3A4HPGDMAPK1MAPT
SCHEMBL4556782 0.89 CYSLTR2 (0.51) KDM4EMAOBMAPTCYP1A2CYP2C9
SCHEMBL31253976 0.86 CTNNB1 (0.45) KDM4EALDH1A1CYP3A4HPGDMAPK1
SCHEMBL6035440 0.85 MAOB (0.68) MAOBMAPTCYP2C19MAOACYP2C9
SCHEMBL1962771 0.85 MAOB (0.64) KDM4EMAOBMAPTCYP2C19RAB9A
SCHEMBL1180883 0.85 ALDH1A1 (0.67) ALDH1A1CYP3A4HPGDMAPK1MAOB
SCHEMBL4145981 0.85 TDP1 (0.49) KDM4EALDH1A1CYP3A4HPGDMAPT
SCHEMBL4207937 0.83 PTGDR2 (0.51) KDM4EALDH1A1CYP3A4HPGDMAPK1
SCHEMBL4215160 0.83 MAOB (0.48) ALDH1A1CYP3A4HPGDMAPK1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021182896-A1 INDUCED BROWN FAT DIFFERENTIATION COMPOSITION COMPRISING ISOLIQUIRITIGENIN DERIVATIVE 가톨릭관동대학교산학협력단 2021-09-16 WO disclosed
US-20070037874-A1 Manufacturing process of isoflavan or isoflavene derivatives BICBIO CO., LTD. (KR) 2007-02-15 US disclosed
WO-2005037815-A1 A MANUFACTURING PROCESS OF ISOFLAVAN OR ISOFLAVENE DERIVATIVES BICBIO CO., LTD. (KR) 2005-04-28 WO disclosed
US-5234951-A Anti-ulcer agent comprising chalcone derivative TSUMURA JUNTENDO, INC. (JP) 1993-08-10 US disclosed
US-5106871-A Reduced side effects TSUMURA & CO. (JP) 1992-04-21 US disclosed
EP-0374789-A1 5- Aminoflavone derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-06-27 EP disclosed
EP-0292576-A1 ANTI-ULCEROUS AGENT CONTAINING CHALCONE DERIVATIVE AS EFFECTIVE INGREDIENT AND NOVEL CHALCONE DERIVATIVES TSUMURA & CO. (JP) 1988-11-30 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 (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-20070037874-A1 Manufacturing process of isoflavan or isoflavene derivatives CYP51A1, CYP2E1, CYP2F1 KDM4E 2260/4885ALDH1A1 769/4885CYP3A4 33/4885

“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.