SCHEMBL10106272

SCHEMBL10106272

CSc1ccc(Br)c(C)c1C=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.36
PRKDC P78527 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL12653549 0.81
SCHEMBL14506800 0.80 ALDH1A1 (0.34) ALDH1A1
SCHEMBL6662766 0.79 ERN1 (0.47) ERN1PRKDCALDH1A1LMNA
SCHEMBL7055248 0.77 ERN1 (0.44) ERN1PRKDCALDH1A1LMNA
SCHEMBL10106268 0.77 ALDH1A1 (0.34) ALDH1A1LMNA
SCHEMBL18300001 0.75 ERN1 (0.40) ERN1PRKDCALDH1A1
SCHEMBL701678 0.74
SCHEMBL29603808 0.74
SCHEMBL29102555 0.73 ERN1 (0.38) ERN1ALDH1A1
SCHEMBL1390662 0.72 ERN1 (0.46) ERN1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124810-B2 Preparation of isoxazolin-3-ylacylbenzenes BASF SE (DE) 2012-02-28 US disclosed
US-8124810-B2 Preparation of isoxazolin-3-ylacylbenzenes BASF SE (DE) 2012-02-28 US disclosed
US-8049017-B2 Preparation of isoxazolin-3-ylacylbenzenes BASF SE (DE) 2011-11-01 US disclosed
US-8049017-B2 Preparation of isoxazolin-3-ylacylbenzenes BASF SE (DE) 2011-11-01 US disclosed
US-20110152535-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES RHEINHEIMER JOACHIM 2011-06-23 US disclosed
US-20110152535-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES RHEINHEIMER JOACHIM 2011-06-23 US disclosed
EP-2325176-A1 Process for the preparation of isoxazolin-3-yl-acylbenzenes BASF SE (DE) 2011-05-25 EP disclosed
EP-2298749-A1 Process for the preparation of Thioethers BASF SE (DE) 2011-03-23 EP disclosed
US-20100105920-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES BASF SE (DE) 2010-04-29 US disclosed
US-20100105920-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES BASF SE (DE) 2010-04-29 US disclosed
US-7663001-B2 Preparation of isoxazolin-3-ylacylbenzene BASF AKTIENGESELLSCHAFT (DE) 2010-02-16 US disclosed
US-7663001-B2 Preparation of isoxazolin-3-ylacylbenzene BASF AKTIENGESELLSCHAFT (DE) 2010-02-16 US disclosed
US-7309802-B2 Preparation of isoxazolin-3-ylacylbenzene BASF AKTIENGESELLSCHAFT (DE) 2007-12-18 US disclosed
US-7309802-B2 Preparation of isoxazolin-3-ylacylbenzene BASF AKTIENGESELLSCHAFT (DE) 2007-12-18 US disclosed
US-20070161800-A1 Preparation of Isoxazolin-3-Ylacylbenzene BASF SE (DE) 2007-07-12 US disclosed
US-20070161800-A1 Preparation of Isoxazolin-3-Ylacylbenzene BASF SE (DE) 2007-07-12 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 (3 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-20070161800-A1 Preparation of Isoxazolin-3-Ylacylbenzene CBR3, UQCRB, CYP4X1 ERN1 3687/4885PRKDC 4385/4885ALDH1A1 483/4885
US-20110152535-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES CBR3, CYP4X1, UQCRB ERN1 3409/4885PRKDC 4393/4885ALDH1A1 549/4885
US-20100105920-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES CBR3, CYP4X1, UQCRB ERN1 3409/4885PRKDC 4393/4885ALDH1A1 549/4885

“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.