SCHEMBL5951647

SCHEMBL5951647

CC(C)(C)C(=O)OB(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.46
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
ENPP2 Q13822 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KCNN4 O15554 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD11B1 P28845 1/20 0.37
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL6375208 0.93 ELANE (0.41) ELANECA4CA6CA5ACA7
SCHEMBL1275132 0.81 CES1 (0.41) ELANECA4CA6CA5ACA7
SCHEMBL18424371 0.78 CYP2C19 (0.39) ELANECA4CA6CA5ACA7
SCHEMBL651370 0.78 ORAI1 (0.42) ELANECA4CA6CA5ACA7
SCHEMBL1672441 0.77 ORAI1 (0.46) CA4CA6CA5ACA7ENPP2
SCHEMBL28664851 0.75 TRPV6 (0.44) CA4CA6CA5ACA7ENPP2
SCHEMBL1237453 0.74 KMT2A (0.42) CA4CA6CA5ACA7ENPP2
SCHEMBL20916961 0.74 LMNA (0.54) CA4CA6CA5ACA7ENPP2
SCHEMBL384014 0.74 ORAI1 (0.42) CA4CA6CA5ACA7ENPP2
SCHEMBL56273 0.74 ORAI1 (0.42) CA4CA6CA5ACA7ENPP2

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 4 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
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 ELANE 3425/4885CA4 4167/4885CA6 3014/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ELANE 3444/4885CA4 4047/4885CA6 2951/4885

“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.