SCHEMBL5951904

SCHEMBL5951904

CCC(C)OB(O)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.37
NR2E1 Q9Y466 4/20 0.35
GABRA1 P14867 4/20 0.35
GABRG2 P18507 4/20 0.35
GABRB3 P28472 4/20 0.35
GABRA5 P31644 4/20 0.35
GABRA3 P34903 4/20 0.35
GABRA2 P47869 4/20 0.35
GABRA6 Q16445 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5952349 0.77 HPGD (0.44) KDM4EKMT2AALDH1A1CYP1A2HPGD
SCHEMBL5952263 0.76 KDM4E (0.37) HTR1BKDM4EKMT2AL3MBTL1CYP2C9
SCHEMBL22635045 0.74 CYP1A2 (0.43) KDM4EKMT2AL3MBTL1ALDH1A1CYP1A2
SCHEMBL5952719 0.73 PCSK9 (0.40) KDM4EKMT2AABCB1LMNATSHR
SCHEMBL5951635 0.72 ALDH1A1 (0.36) HTR1BNR2E1KDM4EPPARGPPARA
SCHEMBL29216444 0.71 ENPP2 (0.38) KDM4EKMT2AL3MBTL1ALDH1A1CYP1A2
SCHEMBL5601608 0.71 ALDH1A1 (0.48) ALDH1A1CYP1A2SIGMAR1HPGDTSHR
SCHEMBL24488 0.71 ALDH1A1 (0.48) ALDH1A1CYP1A2SIGMAR1HPGDTSHR
SCHEMBL29391558 0.71 ALDH1A1 (0.48) ALDH1A1CYP1A2SIGMAR1HPGDTSHR
SCHEMBL7655382 0.70 ALDH1A1 (0.36) KDM4EPPARGPPARAALDH1A1CYP1A2

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 HTR1B 1935/4885NR2E1 1344/4885GABRA1 3842/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 HTR1B 1675/4885NR2E1 1254/4885GABRA1 3774/4885

“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.