SCHEMBL5716811

SCHEMBL5716811

CC(C)(Cl)C(=O)c1ccc2c(c1)CCCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.58
▸ RAB9A P51151 7/20 0.44
▸ NPC1 O15118 7/20 0.44
▸ MAPT P10636 5/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ RXRB P28702 3/20 0.43
▸ RXRA P19793 2/20 0.43
▸ RXRG P48443 2/20 0.43
▸ CTNNB1 P35222 1/20 0.43
▸ WNT3A P56704 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMYD3 Q9H7B4 1/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ RAPGEF3 O95398 1/20 0.41

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
SCHEMBL20652081 0.86 ALDH1A1 (0.61) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL11261240 0.84 ALDH1A1 (0.59) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL14817233 0.84 ALDH1A1 (0.63) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL23311701 0.83 ALDH1A1 (0.58) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL11258356 0.82 ALDH1A1 (0.61) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL11249082 0.80 ALDH1A1 (0.54) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL26242316 0.80 ALDH1A1 (0.54) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL11244958 0.78 ALDH1A1 (0.51) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL9561102 0.77 ALDH1A1 (0.63) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL33121 0.76 ALDH1A1 (0.68) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2

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
EP-1337501-B1 PROCESS FOR PREPARING 1-INDANONES AKZO NOBEL NV (NL) 2006-12-20 — — EP disclosed
EP-1337501-A1 PROCESS FOR PREPARING 1-INDANONES Akzo Nobel N.V. (NL) 2003-08-27 — — EP disclosed
US-6548710-B2 Reacting ketone compound with chlorinating agent, followed by reaction with a friedel-crafts catalyst to produce 1-indanone compound AKZO NOBEL N.V. (NL) 2003-04-15 — — US disclosed
US-20020077507-A1 Process for preparing 1-indanones AKZO NOBEL N.V. (NL) 2002-06-20 — — US disclosed
WO-2002036537-A1 PROCESS FOR PREPARING 1-INDANONES AKZO NOBEL N.V. (NL) 2002-05-10 — — 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-20020077507-A1 Process for preparing 1-indanones CYP1A1, CYP2F1, CYP1B1 ALDH1A1 240/4885RAB9A 2795/4885NPC1 1218/4885

“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.

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