SCHEMBL13626997

SCHEMBL13626997

CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OPOc2ccc(-c3ccccc3)cc2)c(OPOc2ccc(-c3ccccc3)cc2)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
RXRA P19793 3/20 0.32
RXRB P28702 3/20 0.32
RXRG P48443 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
GPR84 Q9NQS5 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL14586980 0.92 CYP1A2 (0.35) LMNANPC1CASP3SENP8SENP7
SCHEMBL13626999 0.85 BACE1 (0.39) LMNAMAPTNPC1NPSR1MEN1
SCHEMBL13627009 0.85 CYP1A2 (0.38) LMNAMAPTNPC1TP53CYP1A2
SCHEMBL14452692 0.76 KIF11 (0.36) LMNAMAPTNPC1TP53CYP1A2
SCHEMBL13627006 0.75 ALDH1A1 (0.37) RXRARXRBRXRG
SCHEMBL29580341 0.75 NPSR1 (0.35) LMNAMAPTTP53POLBCYP2C9
SCHEMBL19754873 0.74 CA1 (0.33) MAPTNPC1CASP3SENP8SENP7
SCHEMBL14452690 0.73 HSP90AA1 (0.36) HSP90AA1
SCHEMBL1897895 0.73 NPC1 (0.36) LMNAMAPTNPC1CASP3SENP8
SCHEMBL1997760 0.73 TRPA1 (0.38) LMNAMAPTNPC1TSHRNPSR1

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-10040743-B2 Method for producing aldehyde compound, and acetal compound KURARAY CO., LTD. (JP) 2018-08-07 US disclosed
US-20170369411-A1 METHOD FOR PRODUCING ALDEHYDE COMPOUND, AND ACETAL COMPOUND KURARAY CO., LTD. (JP) 2017-12-28 US disclosed
US-7615645-B2 Method for the continuous production of aldehydes BASF AKTIENGESELLSCHAFT (DE) 2009-11-10 US disclosed
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-20070004939-A1 Method for the continuous production of aldehydes VOLLAND MARTIN 2007-01-04 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 (4 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-20070004939-A1 Method for the continuous production of aldehydes HRH4, HRH2, HRH3 LMNA 3842/4885MAPT 4835/4885NPC1 2155/4885
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof CYP51A1, MSMO1, HSD17B7 LMNA 2841/4885MAPT 4083/4885NPC1 2542/4885
US-20170369411-A1 METHOD FOR PRODUCING ALDEHYDE COMPOUND, AND ACETAL COMPOUND OGDH, GCDH, ALDH7A1 LMNA 3624/4885MAPT 3870/4885NPC1 3636/4885
US-10040743-B2 Method for producing aldehyde compound, and acetal compound OGDH, GCDH, ALDH7A1 LMNA 3624/4885MAPT 3870/4885NPC1 3636/4885

“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.