SCHEMBL4450540

SCHEMBL4450540

COc1ccc(CC2(C)OCCO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
IDO1 P14902 3/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GLA P06280 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AGXT P21549 2/20 0.41
LTA4H P09960 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL9366681 0.78 NR1I2 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2ATP53
SCHEMBL5236685 0.77 HMOX1 (0.36) IDO1MEN1KMT2ATAAR1TSHR
SCHEMBL1204377 0.77 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ACYP3A4TSHR
SCHEMBL8759961 0.77 ESR1 (0.42) IDO1ALDH1A1TAAR1CA2SIGMAR1
SCHEMBL11014683 0.77 NOS3 (0.37) SMN1; SMN2LTA4HCA12CA1CA2
SCHEMBL8704294 0.76 MAOA (0.43) TP53TSHRGAAMAPK1
SCHEMBL31304899 0.76 SMN1; SMN2 (0.41) SMN1; SMN2IDO1ALDH1A1MEN1KMT2A
SCHEMBL9630859 0.73 POLB (0.42) SMN1; SMN2ALDH1A1MEN1KMT2AMAPK1
SCHEMBL11159381 0.73 CYP2A6 (0.38) SMN1; SMN2ALDH1A1MAPTHPGDKDM4E
SCHEMBL5616834 0.71 CA12 (0.46) SMN1; SMN2CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227635-B2 Apparatus and method for carrying out multiple reactions UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2012-07-24 US disclosed
US-8227635-B2 Apparatus and method for carrying out multiple reactions UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2012-07-24 US disclosed
US-8227635-B2 Apparatus and method for carrying out multiple reactions UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2012-07-24 US disclosed
US-20090299102-A1 APPARATUS AND METHOD FOR CARRYING OUT MULTIPLE REACTIONS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2009-12-03 US disclosed
US-20090299102-A1 APPARATUS AND METHOD FOR CARRYING OUT MULTIPLE REACTIONS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2009-12-03 US disclosed
US-20090299102-A1 APPARATUS AND METHOD FOR CARRYING OUT MULTIPLE REACTIONS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2009-12-03 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 (1 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-20090299102-A1 APPARATUS AND METHOD FOR CARRYING OUT MULTIPLE REACTIONS DDO, APEX1, MMAB SMN1; SMN2 3560/4885IDO1 849/4885ALDH1A1 2288/4885

“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.