SCHEMBL11961374

SCHEMBL11961374

C[C@H]1C=C(C(C)(C)C)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
ATM Q13315 2/20 0.39
CES2 O00748 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
CES1 P23141 1/20 0.39
MPI P34949 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCL1 Q07820 1/20 0.37
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL14269887 1.00 ALDH1A1 (0.39) ALDH1A1MAPTATMCES2PKM
SCHEMBL15677121 1.00 ALDH1A1 (0.39) ALDH1A1MAPTATMCES2PKM
SCHEMBL9968969 0.76 ALDH1A1 (0.36) ALDH1A1MAPTATMCES2PKM
SCHEMBL10033709 0.76 USP2 (0.47) ALDH1A1MAPTATMCES2PKM
SCHEMBL9968974 0.72 ALDH1A1 (0.33) ALDH1A1MAPTATMCES2PKM
SCHEMBL12038700 0.69
SCHEMBL12038674 0.69
SCHEMBL691387 0.69
SCHEMBL16640727 0.68 HIF1A (0.34)
SCHEMBL14751880 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049908-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES CENTROSE LLC (US) 2017-02-23 US disclosed
US-20170049908-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES CENTROSE LLC (US) 2017-02-23 US disclosed
US-9427425-B2 Extracts, fractions and compositions comprising acetogenins and their applications LAILA NUTRACEUTICALS (IN) 2016-08-30 US disclosed
US-8703723-B2 Glycoside compounds and pharmaceutical compositions thereof CENTROSE, LLC (US) 2014-04-22 US disclosed
US-20140056987-A1 COMPOSITIONS COMPRISING EXTRACTS OR FRACTIONS DERIVED FROM ANNONA SQUAMOSA FOR THE PREVENTION, TREATMENT OR CONTROL OF INFLAMMATORY AND METABOLIC DISORDERS LAILA NUTRACEUTICALS (IN) 2014-02-27 US disclosed
US-20120201884-A1 EXTRACTS, FRACTIONS AND COMPOSITIONS COMPRISING ACETOGENINS AND THEIR APPLICATIONS LAlLA NUTRACEUTICALS (IN) 2012-08-09 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 (3 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-20120201884-A1 EXTRACTS, FRACTIONS AND COMPOSITIONS COMPRISING ACETOGENINS AND THEIR APPLICATIONS TNF, IFNG, CXCL10 ALDH1A1 522/4885MAPT 4099/4885ATM 66/4885
US-20140056987-A1 COMPOSITIONS COMPRISING EXTRACTS OR FRACTIONS DERIVED FROM ANNONA SQUAMOSA FOR THE PREVENTION, TREATMENT OR CONTROL OF INFLAMMATORY AND METABOLIC DISORDERS TNF, IL6, MT-ATP6 ALDH1A1 669/4885MAPT 2111/4885ATM 241/4885
US-20170049908-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES ENTPD1, ENTPD2, ENTPD3 ALDH1A1 1286/4885MAPT 2700/4885ATM 3668/4885

“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.