SCHEMBL20427872

SCHEMBL20427872

CC(=O)c1cc(-c2cc(Cl)c(OCc3ccccc3)cc2OCc2ccccc2)on1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
SMPD1 P17405 1/20 0.44
NOTUM Q6P988 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGER1 P34995 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 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
SCHEMBL1578341 0.91 BRD4 (0.48) BRD4SMPD1NOTUMALDH1A1HPGD
SCHEMBL1578001 0.87 MAPT (0.56) BRD4NOTUMALDH1A1KDM4EMAPT
SCHEMBL1578000 0.86 HPGD (0.52) BRD4SMPD1ALDH1A1HPGDKDM4E
Hydroxyamine SCHEMBL1578310 0.84 MAPT (0.53) BRD4NOTUMALDH1A1KDM4EMAPT
SCHEMBL2945372 0.83 BRD4 (0.70) BRD4NOTUMALDH1A1KDM4EMRGPRX4
SCHEMBL1577761 0.83 RAB9A (0.56) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL1578321 0.81 ALDH1A1 (0.47) SMPD1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL12939033 0.81 MAPT (0.56) BRD4ALDH1A1KDM4EMAPTNPC1
SCHEMBL12939031 0.79 HPGD (0.51) BRD4SMPD1ALDH1A1HPGDKDM4E
SCHEMBL20427873 0.78 CYP2C9 (0.41) BRD4NOTUMALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-31 US 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-10035792-B2 Resorcinol derivative as HSP90 inhibitor HSP90AB1, HSP90AA1, HSP90AB2P BRD4 1870/4885SMPD1 4198/4885NOTUM 3076/4885

“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.