SCHEMBL12489672

SCHEMBL12489672

O=C([C@@H]1CCCO1)N1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.63
POLB P06746 2/20 0.61
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 2/20 0.58
TSHR P16473 2/20 0.58
HSD17B10 Q99714 1/20 0.58
FASN P49327 2/20 0.54
PKM P14618 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HTT P42858 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL28312550 1.00 RECQL (0.63) RECQLPOLBALDH1A1KDM4ETSHR
SCHEMBL11969437 0.98 RECQL (0.61) RECQLPOLBALDH1A1KDM4ETSHR
SCHEMBL28313549 0.94 RECQL (0.57) RECQLPOLBALDH1A1KDM4ETSHR
SCHEMBL20178173 0.94 RECQL (0.57) RECQLPOLBALDH1A1KDM4ETSHR
SCHEMBL30072373 0.89 HPGD (0.56) RECQLPOLBALDH1A1KDM4ETSHR
SCHEMBL2677323 0.87 RECQL (0.59) RECQLPOLBALDH1A1KDM4ETSHR
SCHEMBL1372881 0.86 RECQL (0.62) RECQLPOLBALDH1A1KDM4ETSHR
SCHEMBL3122976 0.85 RECQL (0.56) RECQLPOLBALDH1A1KDM4ETSHR
SCHEMBL5423821 0.85 RECQL (0.56) RECQLPOLBALDH1A1KDM4ETSHR
SCHEMBL3550415 0.85 RECQL (0.56) RECQLPOLBALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 US disclosed
CN-110035993-A SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS 艾伯维公司 2019-07-19 CN disclosed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 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-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 RECQL 763/4885POLB 708/4885ALDH1A1 2400/4885

“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.