SCHEMBL21471599

SCHEMBL21471599

COc1c(-c2ccc(C)cc2)ccccc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
ALDH1A1 P00352 3/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 3/20 0.42
RAB9A P51151 3/20 0.42
MAPK1 P28482 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 2/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CDC25A P30304 2/20 0.41

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
SCHEMBL21471598 0.86 HDAC4 (0.50) HDAC4HDAC2HDAC8ALDH1A1POLB
SCHEMBL1044693 0.76 NFE2L2 (0.51) ALDH1A1POLBRAB9AMAPK1KDM4E
SCHEMBL21471580 0.74 PTPRC (0.47) HDAC4HDAC2HDAC8ALDH1A1POLB
SCHEMBL12999509 0.74 RAB9A (0.46) ALDH1A1POLBRAB9AKDM4EMAPT
SCHEMBL12999417 0.74 CA12 (0.41) RAB9AMAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL5373060 0.74 CA1 (0.53) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL21471577 0.73 HDAC4 (0.70) HDAC4HDAC2HDAC8POLBLMNA
SCHEMBL4425113 0.72 SYK (0.56) ALDH1A1LMNARAB9AMAPK1KDM4E
SCHEMBL8036362 0.72 LMNA (0.50) ALDH1A1POLBLMNARAB9AMAPK1
SCHEMBL13568102 0.71 SLC6A3 (0.53) ALDH1A1LMNAMAPK1KDM4EMAPT

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 2 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 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 (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-20210163393-A1 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF CYP27A1, CYP27B1, HSD17B7 HDAC4 1472/4885HDAC2 766/4885HDAC8 1482/4885

“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.