SCHEMBL3498068

SCHEMBL3498068

COC(=O)C(=O)c1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
HIF1A Q16665 1/20 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
SCHEMBL9666232 0.90 MRGPRX4 (0.47) SMN1; SMN2ALDH1A1HTTTDP1HSP90AA1
SCHEMBL28816972 0.87 HTT (0.53) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL18749651 0.87 HIF1A (0.44) ALDH1A1HTTPTGDR2MAPTNPSR1
SCHEMBL29787364 0.87 RXRA (0.47) ALDH1A1HTTTDP1PTGDR2NPSR1
SCHEMBL8848536 0.87 RXRA (0.47) ALDH1A1HTTTDP1PTGDR2NPSR1
SCHEMBL1256265 0.86 MEN1 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL3499125 0.86 MEN1 (0.48) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL7535610 0.84 HIF1A (0.62) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL42033 0.84 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL8619665 0.84 HIF1A (0.62) SMN1; SMN2MEN1KMT2AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101849000-B Reductase, gene thereof and method of using the same SUMITOMO CO LTD 2013-07-03 CN disclosed
CN-101679967-B Reductase, gene thereof, and method for using same SUMITOMO CHEMICAL CO 2013-06-12 CN disclosed
US-8252563-B2 Reductase, gene thereof and method of using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-28 US disclosed
US-8192967-B2 Reductase, gene thereof and method of using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-05 US disclosed
CN-101849000-A Reductase, gene thereof and method of using the same SUMITOMO CHEMICAL CO 2010-09-29 CN disclosed
US-20100221799-A1 REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-09-02 US disclosed
US-20100112701-A1 REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-06 US disclosed
CN-101679967-A Reductase, gene thereof, and method for using same SUMITOMO CHEMICAL CO 2010-03-24 CN disclosed
EP-2138579-A1 REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME Sumitomo Chemical Company, Limited (JP) 2009-12-30 EP disclosed
EP-2138578-A1 REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME Sumitomo Chemical Company, Limited (JP) 2009-12-30 EP 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-20100112701-A1 REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME BLVRB, ADH7, DHCR7 SMN1; SMN2 4205/4885MEN1 4038/4885KMT2A 2407/4885
US-20100221799-A1 REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME BLVRB, DHCR7, GRHPR SMN1; SMN2 4008/4885MEN1 3911/4885KMT2A 1843/4885

“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.