SCHEMBL4841796

SCHEMBL4841796

COC(=O)CCCc1cccc(CN)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.54
SIRT2 Q8IXJ6 1/20 0.46
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
SLC7A5 Q01650 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MC4R P32245 1/20 0.43
MC5R P33032 1/20 0.43
MC3R P41968 1/20 0.43
CFD P00746 1/20 0.43
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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 SCHEMBL4841789 0.98 LOXL2 (0.53) LOXL2SIRT2CYP4F2CYP4A11HDAC1
SCHEMBL5043214 0.90 LOXL2 (0.57) LOXL2SIRT2CYP4F2CYP4A11LMNA
Hydrochloric Acid SCHEMBL5043212 0.89 LOXL2 (0.55) LOXL2SIRT2CYP4F2CYP4A11LMNA
SCHEMBL4832980 0.87 LOXL2 (0.53) LOXL2CYP4F2CYP4A11LMNAALDH1A1
Acetic Acid SCHEMBL6775401 0.86 LOXL2 (0.53) LOXL2SIRT2LMNAKDM4EALDH1A1
SCHEMBL5562569 0.86 CYP4F2 (0.50) SIRT2CYP4F2CYP4A11HDAC1HDAC6
SCHEMBL22070693 0.86 CYP4F2 (0.58) SIRT2CYP4F2CYP4A11HDAC1HDAC6
Hydrochloric Acid SCHEMBL4832972 0.85 LOXL2 (0.51) LOXL2CYP4F2CYP4A11LMNAKDM4E
SCHEMBL3913014 0.84 MAOA (0.47) SIRT2CYP4F2CYP4A11HDAC1HDAC6
SCHEMBL7716656 0.84 MTNR1A (0.47) SIRT2CYP4F2CYP4A11HDAC1HDAC6

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 LOXL2 4346/4885SIRT2 484/4885CYP4F2 1271/4885

“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.