SCHEMBL5951516

SCHEMBL5951516

CCCCC1(c2ccc3ccccc3c2)Cc2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.40
UTS2R Q9UKP6 3/20 0.38
CYP19A1 P11511 3/20 0.37
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
OPRM1 P35372 1/20 0.35
KMT2A Q03164 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5953333 0.87 NPSR1 (0.41) UTS2RNPSR1LMNAL3MBTL1HTT
SCHEMBL21882889 0.82 UTS2R (0.46) ALOX12UTS2RCYP19A1NPSR1LMNA
SCHEMBL5951700 0.81 SLC6A4 (0.37) UTS2RNPSR1LMNAL3MBTL1HTT
SCHEMBL5952208 0.71 SLC6A4 (0.40) UTS2RNPSR1LMNAL3MBTL1HTT
SCHEMBL12086639 0.71 ALOX12 (0.55) ALOX12NPSR1LMNAL3MBTL1HTT
SCHEMBL28757336 0.70 ALOX12 (0.47) ALOX12CYP19A1NPSR1LMNAL3MBTL1
SCHEMBL27973945 0.70 ALOX12 (0.47) ALOX12NPSR1LMNAL3MBTL1HTT
SCHEMBL5952038 0.69 LMNA (0.36) UTS2RNPSR1LMNAL3MBTL1HTT
SCHEMBL13253341 0.67 NPSR1 (0.46) UTS2RNPSR1LMNAL3MBTL1HTT
SCHEMBL11931775 0.67 NPSR1 (0.43) UTS2RNPSR1LMNAL3MBTL1HTT

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 ALOX12 3194/4885UTS2R 3240/4885CYP19A1 18/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ALOX12 3210/4885UTS2R 3404/4885CYP19A1 17/4885

“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.