SCHEMBL6900658

SCHEMBL6900658

CCC(C)/C=C1/CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
AKR1C3 P42330 1/20 0.34
AKR1C1 Q04828 1/20 0.34
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGFR P00533 1/20 0.32
USP2 O75604 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
PTGS2 P35354 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
SCHEMBL1077341 1.00 ALDH1A1 (0.36) ALDH1A1HTTAKR1C3AKR1C1MAPT
SCHEMBL812178 0.85 ALDH1A1 (0.34) ALDH1A1HTTAKR1C3AKR1C1MAPT
SCHEMBL809609 0.85 ALDH1A1 (0.34) ALDH1A1HTTAKR1C3AKR1C1MAPT
SCHEMBL6901403 0.82 TP53 (0.34) ALDH1A1HTTAKR1C3AKR1C1MEN1
SCHEMBL6901400 0.82 TP53 (0.34) ALDH1A1HTTAKR1C3AKR1C1MEN1
SCHEMBL9512837 0.81 NPC1 (0.33) ALDH1A1HTTMAPTNPC1HPGD
SCHEMBL6902527 0.79 ADH1B (0.35) ALDH1A1HTTLMNA
SCHEMBL6902528 0.79 ADH1B (0.35) ALDH1A1HTTLMNA
SCHEMBL6387239 0.79 ALDH1A1 (0.41) ALDH1A1HTTAKR1C3AKR1C1MAPT
SCHEMBL1076577 0.79 ALDH1A1 (0.41) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833481-B2 Catalytic dehydrative isomerization TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-12-21 US disclosed
US-20030109755-A1 Process for producing 2-alkyl-2cyclopentenones TAKASAGO INTERNATIONAL CORPORATION 2003-06-12 US disclosed
EP-1316541-A1 Process for producing 2-alkyl-2-cyclopentenones Takasago International Corporation (JP) 2003-06-04 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 (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-20030109755-A1 Process for producing 2-alkyl-2cyclopentenones HSD3B2, DHPS, HSD3B1 ALDH1A1 575/4885HTT 2010/4885AKR1C3 51/4885

“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.