SCHEMBL21465807

SCHEMBL21465807

O=c1ccc(Br)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.50
MMP2 P08253 1/20 0.48
DBH P09172 1/20 0.48
ALOX15 P16050 3/20 0.48
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CES2 O00748 2/20 0.44
GALR3 O60755 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CYP2C19 P33261 1/20 0.44
ERN1 O75460 1/20 0.43

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
SCHEMBL10339603 0.77 TYR (0.54) TYRMMP2DBHALOX15KDM4E
SCHEMBL916337 0.72 TYR (0.56) TYRMMP2DBHALOX15KDM4E
SCHEMBL14425214 0.72 TYR (0.50) TYRMMP2DBHKDM4EMEN1
SCHEMBL9865577 0.72 TYR (0.56) TYRMMP2DBHALOX15KDM4E
SCHEMBL11193755 0.72 TYR (0.56) TYRMMP2DBHALOX15KDM4E
SCHEMBL23250747 0.72 TYR (0.50) TYRMMP2DBHKDM4EMEN1
SCHEMBL728289 0.69 MMP2 (0.64) TYRMMP2DBHALOX15KDM4E
SCHEMBL10668284 0.69 TSHR (0.60) TYRMMP2DBHALOX15KDM4E
SCHEMBL916360 0.69 MAPK1 (0.59) TYRMMP2DBHKDM4EMEN1
SCHEMBL18311436 0.69 ALOX15 (0.54) ALOX15HSP90AA1CES2GALR3CYP1A2

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
US-20210163393-A1 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2021-06-03 US claimed
CN-112672786-A Hinokitiol analogue, preparation method and pharmaceutical composition thereof 伊利诺伊大学评议会 2021-04-16 CN claimed
EP-3773900-A2 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF The Board of Trustees of the University of Illinois (US) 2021-02-17 EP claimed
WO-2019200314-A2 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-10-17 WO claimed
US-12084411-B2 Hinokitiol analogues, methods of preparing and pharmaceutical compositions thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-09-10 US disclosed
US-20240018105-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS KINESID THERAPEUTICS, INC. (US) 2024-01-18 US disclosed
US-20240018105-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS KINESID THERAPEUTICS, INC. (US) 2024-01-18 US disclosed
US-20210163393-A1 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2021-06-03 US disclosed
US-20210163393-A1 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2021-06-03 US disclosed
WO-2021076945-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS Ambys Medicines, Inc. (US) 2021-04-22 WO disclosed
WO-2021076938-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS Ambys Medicines, Inc. (US) 2021-04-22 WO disclosed
CN-112672786-A Hinokitiol analogue, preparation method and pharmaceutical composition thereof 伊利诺伊大学评议会 2021-04-16 CN disclosed
EP-3773900-A2 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF The Board of Trustees of the University of Illinois (US) 2021-02-17 EP disclosed
WO-2019200314-A2 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-10-17 WO disclosed
WO-2019200314-A2 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-10-17 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 (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-12084411-B2 Hinokitiol analogues, methods of preparing and pharmaceutical compositions thereof CYP27A1, CYP27B1, HSD17B7 TYR 859/4885MMP2 4356/4885DBH 618/4885
US-20210163393-A1 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF CYP27A1, CYP27B1, HSD17B7 TYR 859/4885MMP2 4356/4885DBH 618/4885
US-20240018105-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS TXNRD2, TXNRD1, SDHB TYR 512/4885MMP2 4478/4885DBH 122/4885

“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.