SCHEMBL12880852

SCHEMBL12880852

Cc1ccc2oc3ccccc3c2c1-c1c(C)ccc2oc3ccccc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 3/20 0.45
GAA P10253 3/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
MAOA P21397 6/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
PGAM1 P18669 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
CYP1A2 P05177 3/20 0.42

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
SCHEMBL19011026 0.89 CA1 (0.47) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL7971562 0.83 MAOA (0.45) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL28406349 0.82 HPGD (0.46) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL11663668 0.80 MAOA (0.42) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL1635475 0.79 MAOA (0.59) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL4961160 0.78 ALDH1A1 (0.48) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL17431154 0.78 MAOA (0.48) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL24662703 0.78 ALDH1A1 (0.43) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL13677597 0.77 MAOA (0.46) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL24381629 0.76 KDM4E (0.48) KDM4EALDH1A1HPGDMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186725-A1 METHOD FOR THE HOMOGENEOUS CATALYTIC REDUCTIVE AMINATION OF CARBONYL COMPOUNDS BASF SE (DE) 2018-07-05 US disclosed
US-9975837-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2018-05-22 US disclosed
US-20180057437-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2018-03-01 US disclosed
US-8623621-B2 Method for producing optically active 2-methyl-alkanols BASF SE (DE) 2014-01-07 US disclosed
US-20110045560-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-METHYL-ALKANOLS BASF AKTIENGESELLSCHAFT (DE) 2011-02-24 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 (2 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-20180186725-A1 METHOD FOR THE HOMOGENEOUS CATALYTIC REDUCTIVE AMINATION OF CARBONYL COMPOUNDS CAT, AOC1, CYCS KDM4E 589/4885ALDH1A1 553/4885HPGD 744/4885
US-20180057437-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS CBR3, CBR1, HRH4 KDM4E 2773/4885ALDH1A1 653/4885HPGD 822/4885

“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.