SCHEMBL5951597

SCHEMBL5951597

CC(C)CC1Cc2c(cccc2-c2cccc3ccccc23)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR7 P34969 3/20 0.40
HTR1A P08908 2/20 0.40
METAP1 P53582 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP19A1 P11511 2/20 0.36
BRD4 O60885 1/20 0.36
PTPN1 P18031 1/20 0.36
SLC25A5 P05141 1/20 0.36
ALOX5 P09917 1/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
SLC6A3 Q01959 1/20 0.35
AKR1C3 P42330 1/20 0.34

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
SCHEMBL5951960 0.85 HTR7 (0.44) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL5952885 0.82 HTR7 (0.45) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL5952174 0.82 METAP1 (0.39) HTR7HTR1AMETAP1CYP19A1SLC25A5
SCHEMBL5951687 0.82 HTR7 (0.39) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL5951742 0.79 HTR7 (0.43) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL5951525 0.77 METAP1 (0.40) METAP1CYP19A1SLC25A5PIM1PIM2
SCHEMBL1583328 0.77 METAP1 (0.40) METAP1CYP19A1SLC25A5PIM1PIM2
SCHEMBL3150632 0.77 ACHE (0.58) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL16775653 0.74 CYP19A1 (0.46) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL16194381 0.73 CYP19A1 (0.46) MAPTALDH1A1MEN1HPGDKMT2A

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-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 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 (2 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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A MAPT 3693/4885ALDH1A1 317/4885MEN1 718/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 MAPT 3748/4885ALDH1A1 198/4885MEN1 614/4885

“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.