SCHEMBL11368685

SCHEMBL11368685

CCC1(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL22014537 0.90 OPRM1 (0.51) ALDH1A1DDB1CRBN
SCHEMBL22014538 0.88 OPRM1 (0.52) ALDH1A1KMT2A
SCHEMBL27527945 0.87 LMNA (0.46) ALDH1A1DDB1CRBNKMT2A
SCHEMBL16875464 0.87 SMN1; SMN2 (0.52) ALDH1A1DDB1CRBN
SCHEMBL16875463 0.87 SMN1; SMN2 (0.52) ALDH1A1DDB1CRBN
SCHEMBL16886413 0.87 SMN1; SMN2 (0.52) ALDH1A1DDB1CRBN
SCHEMBL3560767 0.85 ALDH1A1 (0.48) ALDH1A1KMT2A
SCHEMBL16661071 0.85 DDB1 (0.52) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL16700397 0.84 ALDH1A1 (0.47) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL23135459 0.84 ALDH1A1 (0.50) ALDH1A1DDB1CRBNMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
WO-2015005901-A1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO disclosed
WO-2013106520-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 WO disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-4273784-A PROSTAGLANDINS WITH CYCLOPROPANE RING IN 2,3 POSITION, OXYTOCICS, ANTISECRETORY, ANTICOAGULANTS, DECONGESTANTS SANDOZ LTD. (CH) 1981-06-16 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 (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-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885DDB1 361/4885CRBN 2152/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885DDB1 361/4885CRBN 2152/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885DDB1 361/4885CRBN 2152/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885DDB1 361/4885CRBN 2152/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS ALDH1A1 3872/4885DDB1 279/4885CRBN 1931/4885

“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.