SCHEMBL5952228

SCHEMBL5952228

CC(C)C(C)(C)OB(O)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
UGT2B7 P16662 1/20 0.39
CYP1A2 P05177 3/20 0.34
CYP2A6 P11509 2/20 0.34
MMP9 P14780 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
EPHX1 P07099 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL5952636 0.80 TRPV6 (0.38) CA1CA2CYP1A2SLC6A4CYP2D6
SCHEMBL517925 0.79 CA1 (0.50) CA1CA2UGT2B7CYP1A2CYP2A6
SCHEMBL21076143 0.74 CA1 (0.61) CA1CA2UGT2B7CYP1A2CYP2A6
SCHEMBL22635041 0.74 CA1 (0.65) CA1CA2UGT2B7CYP1A2CYP2A6
SCHEMBL4965705 0.72 CA1 (0.63) CA1CA2UGT2B7CYP1A2CYP2A6
SCHEMBL14979413 0.72 CA1 (0.68) CA1CA2UGT2B7CYP1A2CYP2A6
SCHEMBL5953307 0.71
SCHEMBL28182973 0.71 CA1 (0.61) CA1CA2UGT2B7CYP1A2CYP2A6
SCHEMBL5952233 0.70 CA1 (0.55) CA1CA2UGT2B7CYP1A2CYP2A6
SCHEMBL23125461 0.70 RECQL (0.33) KMT2A

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 CA1 3547/4885CA2 4329/4885UGT2B7 57/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 CA1 3105/4885CA2 4267/4885UGT2B7 68/4885

“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.