SCHEMBL11099701

SCHEMBL11099701

CCC(=O)c1ccc(OC(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
PARP10 Q53GL7 1/20 0.61
MAPT P10636 6/20 0.55
ALDH1A1 P00352 4/20 0.55
TP53 P04637 2/20 0.55
HTT P42858 2/20 0.55
THRB P10828 1/20 0.55
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
ABCB1 P08183 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ATM Q13315 1/20 0.48
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 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
SCHEMBL7629227 0.86 KMT2A (0.66) KMT2APARP10MAPTALDH1A1TP53
SCHEMBL10415389 0.86 KMT2A (0.51) KMT2APARP10MAPTALDH1A1TP53
SCHEMBL6577475 0.85 KMT2A (0.63) KMT2APARP10MAPTALDH1A1TP53
SCHEMBL1461730 0.83 GSK3B (0.65) KMT2APARP10MAPTALDH1A1TP53
SCHEMBL11700532 0.83 KMT2A (0.61) KMT2APARP10MAPTALDH1A1TP53
SCHEMBL16914812 0.83 KMT2A (0.61) KMT2APARP10MAPTALDH1A1TP53
SCHEMBL10883891 0.83 HDAC3 (0.60) KMT2AMAPTALDH1A1HTTPOLB
SCHEMBL7925884 0.82 STS (0.59) KMT2APARP10MAPTALDH1A1TP53
SCHEMBL6255775 0.82 ABCB1 (0.50) KMT2APARP10MAPTALDH1A1TP53
SCHEMBL7598201 0.82 ABCB1 (0.50) KMT2APARP10MAPTALDH1A1TP53

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-20230332350-A1 DOUBLE BRAID ROPE STRUCTURE KURARAY CO., LTD. (JP) 2023-10-19 US disclosed
CN-102438991-B Carbinol compounds having a heterocyclic linker KOWA CO.,LTD. (JP) 2015-08-26 CN disclosed
CN-102438991-A Carbinol compounds having a heterocyclic linker KOWA CO 2012-05-02 CN disclosed
CN-102105452-A Substituted carbinol compound having cyclic linker KOWA CO 2011-06-22 CN disclosed
US-7956196-B2 the major cause of lower respiratory tract illness during infancy and childhood TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-06-07 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20080146564-A1 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication JANSSEN SCIENCES IRELAND UC (IE) 2008-06-19 US disclosed
US-4474977-A CARDIOVASCULAR DIORDERS, ANTISPASMODIC AGENTS CONTINENTAL PHARMA S.A. (BE) 1984-10-02 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 (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-20080146564-A1 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, RTF2 KMT2A 1525/4885PARP10 760/4885MAPT 4576/4885

“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.