SCHEMBL7997973

SCHEMBL7997973

O=Cc1ccccc1P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SRC P12931 1/20 0.37
ALDH1A1 P00352 6/20 0.35
TSHR P16473 1/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 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
SCHEMBL1315359 0.80 ROCK2 (0.35) KMT2ALMNAMEN1ALDH1A1TSHR
SCHEMBL12128642 0.79 TRIM24 (0.39) KMT2ALMNAMEN1TDP1SRC
SCHEMBL1314189 0.78 ROCK2 (0.33) ALDH1A1HSD17B10GAAKDM4E
Formaldehyde SCHEMBL17583570 0.77 ROCK2 (0.32) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL17583591 0.77 ROCK2 (0.33) MAPTGAAKDM4E
SCHEMBL520084 0.75 BCHE (0.37) KMT2ALMNAMEN1ALDH1A1TSHR
SCHEMBL8106088 0.74 L3MBTL1 (0.33) L3MBTL1
SCHEMBL19591133 0.74 ROCK2 (0.31)
SCHEMBL8091041 0.73
SCHEMBL14905782 0.72 GAA (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114080379-B Hydrogenation of esters to alcohols in the presence of Ru-PNN complexes 巴斯夫欧洲公司 2024-02-23 CN disclosed
US-11708316-B2 Hydrogenation of esters to alcohols in the presence of a Ru-PNN complex BASF SE (DE) 2023-07-25 US disclosed
CN-114080379-A Hydrogenation of esters to alcohols in the presence of Ru-PNN complexes 巴斯夫欧洲公司 2022-02-22 CN disclosed
CN-112375100-B Chiral phosphine nitrogen phosphine tridentate ligand, preparation method and application thereof 珠海复旦创新研究院 2021-12-21 CN disclosed
CN-112375100-A Chiral phosphine nitrogen phosphine tridentate ligand, preparation method and application thereof 珠海复旦创新研究院 2021-02-19 CN disclosed
US-6124476-A SUZUKI CROSS-COUPLING REACTIONS. PHOSPHINOBENZALDEHYDES AND ACETALS SYMYX TECHNOLOGIES, INC. (US) 2000-09-26 US disclosed
WO-2000008032-A1 CATALYST LIGANDS USEFUL FOR CROSS-COUPLING REACTIONS SYMYX TECHNOLOGIES, INC. (US) 2000-02-17 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-11708316-B2 Hydrogenation of esters to alcohols in the presence of a Ru-PNN complex ADH1A, PNN, ADH1C KMT2A 771/4885LMNA 214/4885MEN1 368/4885

“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.