SCHEMBL4842935

SCHEMBL4842935

COC(=O)c1ccc(OCCN)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MGLL Q99685 1/20 0.49
NOTUM Q6P988 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPT P10636 5/20 0.46
LOXL2 Q9Y4K0 2/20 0.46
ESR1 P03372 1/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
PLAU P00749 1/20 0.44
TTR P02766 1/20 0.44
USP2 O75604 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44

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
Hydrochloric Acid SCHEMBL4842924 0.98 TDP1 (0.51) TDP1L3MBTL1MGLLNOTUMALDH1A1
SCHEMBL17991550 0.88 NOTUM (0.59) TDP1L3MBTL1NOTUMALDH1A1MAPT
SCHEMBL30962311 0.88 TDP1 (0.52) TDP1L3MBTL1MGLLNOTUMALDH1A1
SCHEMBL27385994 0.88 TDP1 (0.52) TDP1L3MBTL1MGLLNOTUMALDH1A1
SCHEMBL25314236 0.86 TDP1 (0.57) TDP1L3MBTL1MGLLALDH1A1MAPT
SCHEMBL12492829 0.86 ALDH1A1 (0.55) TDP1L3MBTL1MGLLNOTUMALDH1A1
SCHEMBL17991554 0.86 MGLL (0.56) TDP1L3MBTL1MGLLALDH1A1MAPT
SCHEMBL2931101 0.85 MAPT (0.60) MAPTLMNAATM
SCHEMBL12493216 0.85 ALDH1A1 (0.54) TDP1L3MBTL1MGLLALDH1A1MAPT
SCHEMBL16533382 0.85 MAPT (0.60) MGLLMAPTLMNAHPGDATM

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-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 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-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 TDP1 779/4885L3MBTL1 1493/4885MGLL 599/4885

“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.