SCHEMBL18944155

SCHEMBL18944155

CCC(C)(C)c1cc(OC)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ERN1 O75460 1/20 0.43
TYR P14679 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL11786492 0.86 GAA (0.50) ALDH1A1GAAKDM4EMEN1MAPT
SCHEMBL12405380 0.84 ALDH1A1 (0.51) ALDH1A1GAAKDM4EMEN1MAPT
SCHEMBL221405 0.84 ALDH1A1 (0.51) ALDH1A1GAAKDM4EMEN1MAPT
SCHEMBL9150131 0.84 ALDH1A1 (0.50) ALDH1A1GAAKDM4EMEN1MAPT
SCHEMBL221406 0.82 CNR2 (0.53) ALDH1A1GAAKDM4EMEN1MAPT
SCHEMBL9519087 0.81 GAA (0.46) ALDH1A1GAAMEN1MAPTTHRB
SCHEMBL35535 0.81 ALDH1A1 (0.73) ALDH1A1GAAKDM4EMEN1MAPT
SCHEMBL29362042 0.81 ALDH1A1 (0.73) ALDH1A1GAAKDM4EMEN1MAPT
SCHEMBL6142004 0.81 ALDH1A1 (0.73) ALDH1A1GAAKDM4EMEN1MAPT
SCHEMBL27448454 0.80 ATM (0.48) ALDH1A1GAAKDM4EMAPTACHE

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-10881656-B2 HIF inhibitors and use thereof THE GENERAL HOSPITAL CORPORATION (US) 2021-01-05 US disclosed
US-20170157111-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2017-06-08 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 (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-10881656-B2 HIF inhibitors and use thereof HIF1AN, HIF1A, EGLN3 ALDH1A1 595/4885GAA 1002/4885KDM4E 803/4885
US-20170157111-A1 HIF INHIBITORS AND USE THEREOF HIF1AN, HIF1A, EGLN3 ALDH1A1 595/4885GAA 1002/4885KDM4E 803/4885

“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.