SCHEMBL21775573

SCHEMBL21775573

Cc1ccc(OC(C(C)O)N2C(C)(C)C=CC2(C)C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.40
FFAR1 O14842 1/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
RAB9A P51151 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
ESR1 P03372 1/20 0.32
APEX1 P27695 1/20 0.32
MAPK1 P28482 1/20 0.32
ESR2 Q92731 1/20 0.32
FKBP1A P62942 1/20 0.32

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
SCHEMBL21775598 0.81 LMNA (0.41) SMN1; SMN2TP53MEN1KMT2AL3MBTL1
SCHEMBL10359371 0.71 TDP1 (0.63) TDP1SMN1; SMN2MAPTTP53MEN1
SCHEMBL16370718 0.71 SMN1; SMN2 (0.50) TDP1SMN1; SMN2MAPTTP53MEN1
Hydrochloric Acid SCHEMBL16371043 0.70 FKBP1A (0.49) TDP1SMN1; SMN2MAPTTP53MEN1
SCHEMBL10153872 0.67 TDP1 (0.62) TDP1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL21775567 0.66 LMNA (0.40) TDP1SMN1; SMN2MAPTTP53MEN1
SCHEMBL21793125 0.66 MAPT (0.55) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL19122983 0.65 SMN1; SMN2 (0.59) TDP1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8534164 0.64 TDP1 (0.58) TDP1SMN1; SMN2MAPTTP53MEN1
SCHEMBL8091598 0.64 TDP1 (0.58) TDP1SMN1; SMN2MAPTTP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 US disclosed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 US disclosed
CN-110831584-A Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2020-02-21 CN 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-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 TDP1 760/4885SMN1; SMN2 955/4885FFAR1 298/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A TDP1 1033/4885SMN1; SMN2 676/4885FFAR1 265/4885

“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.