SCHEMBL10414980

SCHEMBL10414980

CCC(CC(=O)O)OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALOX15 P16050 1/20 0.48
MMP12 P39900 1/20 0.46
CYP1A2 P05177 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HRH1 P35367 1/20 0.41
SLC18A3 Q16572 1/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 4/20 0.38
GMNN O75496 3/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
HSP90AA1 P07900 2/20 0.38
BLM P54132 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
TP53 P04637 1/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL6153718 0.88 LMNA (0.67) LMNASMN1; SMN2ALOX15MMP12CYP1A2
SCHEMBL1584634 0.83
SCHEMBL31571128 0.83 LMNA (0.56) LMNASMN1; SMN2ALOX15MMP12CYP1A2
SCHEMBL13988077 0.81 LMNA (0.50) LMNASMN1; SMN2ALOX15MMP12CYP1A2
SCHEMBL27657335 0.80 SMN1; SMN2 (0.40) LMNASMN1; SMN2ALOX15MMP12CYP1A2
SCHEMBL14930231 0.80 SMN1; SMN2 (0.40) LMNASMN1; SMN2ALOX15MMP12CYP1A2
SCHEMBL15354284 0.80 MEN1 (0.46) LMNASMN1; SMN2ALOX15CYP1A2MEN1
SCHEMBL4923275 0.80 LMNA (0.58) LMNASMN1; SMN2ALOX15MMP12CYP1A2
SCHEMBL4923280 0.80 LMNA (0.58) LMNASMN1; SMN2ALOX15MMP12CYP1A2
SCHEMBL12136517 0.80 MEN1 (0.46) LMNASMN1; SMN2ALOX15CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037043-A1 BERBERINE SALTS, URSODEOXYCHOLIC SALTS AND COMBINATIONS, METHODS OF PREPARATION AND APPLICATION THEREOF SHENZHEN HIGHTIDE BIOPHARMACEUTICAL, LTD. (CN) 2017-02-09 US disclosed
US-9334235-B2 Plasmalogen compounds, pharmaceutical compositions containing the same and methods for treating diseases of the aging PHENOMENOME DISCOVERIES INC. (CA) 2016-05-10 US disclosed
US-8952047-B1 Betaine compounds THERMOLIFE INTERNATIONAL, LLC (US) 2015-02-10 US disclosed
US-8569369-B2 Amino acid compounds THERMOLIFE INTERNATIONAL, LLC (US) 2013-10-29 US disclosed
US-8569368-B2 Amino acid compounds THERMOLIFE INTERNATIONAL, LLC (US) 2013-10-29 US disclosed
US-20130116312-A2 PLASMALOGEN COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING DISEASES OF THE AGING PHENOMENOME DISCOVERIES INC. (CA) 2013-05-09 US disclosed
US-4980487-A ANTIULCER AGENTS KALI-CHEMIE PHARMA GMBH (DE) 1990-12-25 US disclosed
US-4891384-A Valepotriate hydrin containing medicines used to treat uclers and motility disturbances KALI-CHEMIC PHARMA GMBH (DE) 1990-01-02 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 (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-20170037043-A1 BERBERINE SALTS, URSODEOXYCHOLIC SALTS AND COMBINATIONS, METHODS OF PREPARATION AND APPLICATION THEREOF CYP27A1, NR1H4, CYP7A1 LMNA 117/4885SMN1; SMN2 204/4885ALOX15 123/4885
US-20130116312-A2 PLASMALOGEN COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING DISEASES OF THE AGING PHOSPHO1, SGMS2, MBOAT1 LMNA 1183/4885SMN1; SMN2 342/4885ALOX15 95/4885

“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.