SCHEMBL6387239

SCHEMBL6387239

CC(C)/C=C1\CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HTT P42858 2/20 0.41
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
MAPT P10636 6/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 2/20 0.35
EGFR P00533 1/20 0.35
LMNA P02545 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL6902225 1.00 ALDH1A1 (0.41) ALDH1A1HTTAKR1C3AKR1C1MAPT
SCHEMBL1076577 1.00 ALDH1A1 (0.41) ALDH1A1HTTAKR1C3AKR1C1MAPT
SCHEMBL4827581 0.95 RAB9A (0.39) ALDH1A1HTTAKR1C3AKR1C1MAPT
SCHEMBL18198955 0.95 RAB9A (0.39) ALDH1A1HTTAKR1C3AKR1C1MAPT
SCHEMBL18198958 0.93 RAB9A (0.38) ALDH1A1HTTMAPTSMN1; SMN2NPC1
SCHEMBL10735746 0.83 MAPT (0.47) ALDH1A1HTTMAPTSMN1; SMN2NPC1
SCHEMBL6900658 0.79 ALDH1A1 (0.36) ALDH1A1HTTAKR1C3AKR1C1MAPT
SCHEMBL1077341 0.79 ALDH1A1 (0.36) ALDH1A1HTTAKR1C3AKR1C1MAPT
SCHEMBL809609 0.76 ALDH1A1 (0.34) ALDH1A1HTTAKR1C3AKR1C1MAPT
SCHEMBL812178 0.76 ALDH1A1 (0.34) ALDH1A1HTTAKR1C3AKR1C1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1737005-A Chiral diphosphor compound an transition metal complex thereof LANXESS DEUTSCHLAND GMBH (DE) 2006-02-22 CN disclosed
US-20050288523-A1 Chiral diphosphorus compounds and transition metal complexes thereof LANXESS DEUTSCHLAND GMBH (DE) 2005-12-29 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 (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-20050288523-A1 Chiral diphosphorus compounds and transition metal complexes thereof PIN1, CDIPT, DDT ALDH1A1 2617/4885HTT 3938/4885AKR1C3 2427/4885

“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.