SCHEMBL8916093

SCHEMBL8916093

CCC(=O)[C@H](OC)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 6/20 0.49
GAA P10253 2/20 0.49
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PPARA Q07869 1/20 0.44
POLB P06746 1/20 0.44
GLS O94925 4/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL1775170 1.00 PKM (0.49) PKMLMNAALDH1A1GAARECQL
SCHEMBL31298527 0.93 LMNA (0.48) PKMLMNAALDH1A1GAARECQL
SCHEMBL27765469 0.83 ESR1 (0.44) LMNAALDH1A1RECQLKMT2ASMN1; SMN2
SCHEMBL8533332 0.83 TSHR (0.53) PKMLMNAALDH1A1GAARECQL
SCHEMBL1874782 0.83 KMT2A (0.39) PKMLMNAALDH1A1GAARECQL
SCHEMBL14935057 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2CYP1A2KDM4EPPARA
SCHEMBL10603038 0.81 CHRM1 (0.51) ALDH1A1L3MBTL1CYP1A2PPARACYP3A4
Alcohol SCHEMBL2312710 0.81 PKM (0.49) PKMLMNAALDH1A1GAARECQL
SCHEMBL14665151 0.81 KEAP1 (0.53) PKMLMNAALDH1A1GAARECQL
SCHEMBL28585835 0.80 ALDH1A1 (0.43) LMNAALDH1A1KMT2ACYP1A2PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059799-B2 Process for preparation of eribulin and intermediates thereof DR. REDDY'S LABORATORIES LIMITED. (IN) 2021-07-13 US disclosed
EP-2400846-B1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-10-05 EP disclosed
WO-2013059278-A2 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2013-04-25 WO disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
WO-2010148006-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
WO-2010091413-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2010-08-12 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 (5 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-11059799-B2 Process for preparation of eribulin and intermediates thereof ERLIN1, ERLIN2, MAN1B1 PKM 2390/4885LMNA 1471/4885ALDH1A1 1325/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 PKM 954/4885LMNA 3064/4885ALDH1A1 201/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 PKM 2497/4885LMNA 2800/4885ALDH1A1 365/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 PKM 2496/4885LMNA 2096/4885ALDH1A1 229/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 PKM 2169/4885LMNA 2724/4885ALDH1A1 287/4885

“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.