SCHEMBL21163305

SCHEMBL21163305

O=C1c2ccccc2C(O)N1[C@H]1CCC[C@@H](O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
RAB9A P51151 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
PKM P14618 3/20 0.37
FPR1 P21462 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 3/20 0.36
TP53 P04637 2/20 0.36

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
SCHEMBL25648819 1.00 TSHR (0.42) TSHRRAB9AALDH1A1MEN1KMT2A
SCHEMBL19662739 0.86 RAB9A (0.45) TSHRRAB9AALDH1A1MEN1KMT2A
SCHEMBL10554268 0.85 TSHR (0.56) TSHRRAB9AALDH1A1MEN1KMT2A
SCHEMBL19539757 0.83 TSHR (0.52) TSHRRAB9AALDH1A1MEN1KMT2A
SCHEMBL23336386 0.82 TSHR (0.49) TSHRRAB9AALDH1A1MEN1KMT2A
SCHEMBL19932259 0.78 HTR2B (0.48) TSHRRAB9AALDH1A1MEN1KMT2A
SCHEMBL18973311 0.78 RAB9A (0.43) TSHRRAB9AALDH1A1MEN1KMT2A
SCHEMBL17362924 0.77 ALDH1A1 (0.44) TSHRALDH1A1KMT2AATMHSD17B10
SCHEMBL5415989 0.77 ALDH1A1 (0.44) TSHRALDH1A1KMT2AATMHSD17B10
SCHEMBL5419125 0.77 ALDH1A1 (0.44) TSHRALDH1A1KMT2AATMHSD17B10

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-20190209560-A1 MNK INHIBITORS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS, INC. 2019-07-11 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-20190209560-A1 MNK INHIBITORS AND METHODS RELATED THERETO TNNI3K, NIM1K, NEK9 TSHR 3049/4885RAB9A 936/4885ALDH1A1 4285/4885

“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.