SCHEMBL23709482

SCHEMBL23709482

CC(C)c1ccc(C(=O)N(CCO)CCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
USP5 P45974 1/20 0.46
ALDH1A1 P00352 3/20 0.43
CYP2C9 P11712 1/20 0.43
POLB P06746 1/20 0.43
MLYCD O95822 2/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
EGFR P00533 2/20 0.41
ERBB2 P04626 2/20 0.41
OPRD1 P41143 1/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL12920007 0.94 HPGD (0.48) HPGDHDAC1HDAC6USP5ALDH1A1
SCHEMBL19106102 0.92 OPRD1 (0.48) HPGDHDAC1HDAC6ALDH1A1MLYCD
SCHEMBL21078118 0.86 MLYCD (0.58) HPGDHDAC1HDAC6USP5CYP2C9
SCHEMBL7157289 0.84 ALDH1A1 (0.48) HPGDHDAC1HDAC6ALDH1A1MLYCD
SCHEMBL20715645 0.84 HPGD (0.51) HPGDHDAC1HDAC6USP5ALDH1A1
SCHEMBL4472102 0.81 HSP90AA1 (0.58) HPGDALDH1A1MLYCDL3MBTL1MAPT
SCHEMBL8557968 0.81 MLYCD (0.40) HPGDALDH1A1MLYCDNPC1L3MBTL1
SCHEMBL14117677 0.79 CYP3A4 (0.43) HPGDALDH1A1POLBMLYCDNPC1
SCHEMBL7456186 0.79 ALDH1A1 (0.46) HPGDALDH1A1MLYCDNPC1L3MBTL1
SCHEMBL19835578 0.79 ALDH1A1 (0.64) ALDH1A1MLYCDNPC1L3MBTL1MAPT

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-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 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-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF RHEB, KRAS, NRAS HPGD 1852/4885HDAC1 1729/4885HDAC6 895/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS HPGD 2380/4885HDAC1 1588/4885HDAC6 911/4885

“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.