SCHEMBL4870136

SCHEMBL4870136

CC1=CC2(OCCO2)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 3/20 0.38
MAPK1 P28482 3/20 0.38
TP53 P04637 2/20 0.38
CYP2D6 P10635 2/20 0.38
HSPD1 P10809 2/20 0.38
CYP2C19 P33261 2/20 0.38
BLM P54132 2/20 0.38
HSPE1 P61604 2/20 0.38
HIF1A Q16665 2/20 0.38
TST Q16762 2/20 0.38
GAA P10253 2/20 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
SCHEMBL11481755 0.71 ALDH1A1 (0.46) ALDH1A1KMT2ALMNACYP1A2CYP3A4
SCHEMBL14303958 0.69
SCHEMBL20151671 0.67 IDO1 (0.38) IDO1ALDH1A1KMT2ALMNACYP1A2
SCHEMBL9861969 0.66 PDK2 (0.46)
SCHEMBL11488102 0.65 MEN1 (0.54) ALDH1A1KMT2ALMNACYP1A2CYP3A4
SCHEMBL8946994 0.64 KMT2A (0.31) KMT2A
SCHEMBL29522682 0.61 MEN1 (0.52) ALDH1A1KMT2ALMNACYP1A2CYP3A4
SCHEMBL12997896 0.61 MEN1 (0.52) ALDH1A1KMT2ALMNACYP1A2CYP3A4
SCHEMBL16532992 0.61 USP8 (0.49) ALDH1A1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL1855552 0.61 MEN1 (0.52) ALDH1A1KMT2ALMNACYP1A2CYP3A4

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-8969249-B2 Synthesis and biological activity of bicyclic ABA analogs NATIONAL RESEARCH COUNCIL OF CANADA 2015-03-03 US claimed
US-20080200339-A1 Methylating 1-tetralone to produce dimethyl tetralone or reacting 2-methyl-1-naphthol, alkylating with 3-methylpent-2-en-4-yn-1-ol, oxidizing the alcohol to an ester, reacting the ester or deprotecting the ketal to give a ketone; inhibiting cell growth and seed germination; herbicides NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2008-08-21 US claimed
WO-2005108345-A1 SYNTHESIS AND BIOLOGICAL ACTIVITY OR NOVEL BICYCLIC ABA ANALOGS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2005-11-17 WO claimed
US-8969249-B2 Synthesis and biological activity of bicyclic ABA analogs NATIONAL RESEARCH COUNCIL OF CANADA 2015-03-03 US disclosed
US-8969249-B2 Synthesis and biological activity of bicyclic ABA analogs NATIONAL RESEARCH COUNCIL OF CANADA 2015-03-03 US disclosed
US-20080200339-A1 Methylating 1-tetralone to produce dimethyl tetralone or reacting 2-methyl-1-naphthol, alkylating with 3-methylpent-2-en-4-yn-1-ol, oxidizing the alcohol to an ester, reacting the ester or deprotecting the ketal to give a ketone; inhibiting cell growth and seed germination; herbicides NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2008-08-21 US disclosed
US-20080200339-A1 Methylating 1-tetralone to produce dimethyl tetralone or reacting 2-methyl-1-naphthol, alkylating with 3-methylpent-2-en-4-yn-1-ol, oxidizing the alcohol to an ester, reacting the ester or deprotecting the ketal to give a ketone; inhibiting cell growth and seed germination; herbicides NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2008-08-21 US disclosed
WO-2005108345-A1 SYNTHESIS AND BIOLOGICAL ACTIVITY OR NOVEL BICYCLIC ABA ANALOGS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2005-11-17 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-20080200339-A1 Methylating 1-tetralone to produce dimethyl tetralone or reacting 2-methyl-1-naphthol, alkylating with 3-methylpent-2-en-4-yn-1-ol, oxidizing the alcohol to an ester, reacting the ester or deprotecting the ketal to give a ketone; inhibiting cell growth and seed germination; herbicides FASN, HACL2, ACSL1 IDO1 1270/4885ALDH1A1 435/4885KMT2A 163/4885

“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.