SCHEMBL8526121

SCHEMBL8526121

Cc1cc2c(cc1C(N)=O)OCCO2

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
CTNNB1 P35222 2/20 0.43
WNT3A P56704 2/20 0.43
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL549161 0.82 SMN1; SMN2 (0.53) TSHRMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL8282238 0.78 RAB9A (0.48) TSHRMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL7083041 0.76 NNMT (0.50) TSHRMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL549253 0.75 MAPT (0.52) TSHRMAPTSMN1; SMN2LMNAKDM4E
SCHEMBL34471843 0.74 NNMT (0.48) MAPTSMN1; SMN2L3MBTL1TDP1POLB
SCHEMBL8525889 0.73 ALDH1A1 (0.47) TSHRMAPTSMN1; SMN2LMNAKDM4E
SCHEMBL4638397 0.72 NNMT (0.47) TSHRSMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL30514062 0.72 ALDH1A1 (0.62) TSHRMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL2182734 0.71 DGAT1 (0.44) TSHRL3MBTL1ALDH1A1TDP1POLB
SCHEMBL624490 0.71 TSHR (1.00) TSHRMAPTSMN1; SMN2KDM4ENPC1

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-20120129818-A1 Compositions and Methods for Treatment of Cardiovascular Disease CARMEL BIOSCIENCES, INC. 2012-05-24 US disclosed
WO-2010124201-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF CARDIOVASCULAR DISEASE INVASC THERAPEUTICS, INC. (US) 2010-10-28 WO 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-20120129818-A1 Compositions and Methods for Treatment of Cardiovascular Disease APOB, LDLR, APOL1 TSHR 3638/4885MAPT 1463/4885SMN1; SMN2 2146/4885

“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.