SCHEMBL16761900

SCHEMBL16761900

CC(C)(C)COCc1ccc(C=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2A6 P11509 3/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
RAB9A P51151 2/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A3 P47895 2/20 0.37
ALDH3A1 P30838 1/20 0.37
TACR2 P21452 1/20 0.37
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL8710528 0.83 ALDH1A1 (0.37) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL19429021 0.81 ALDH1A1 (0.41) ALDH1A1
SCHEMBL4945584 0.79 ALDH1A1 (0.49) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL12933615 0.78 ALDH5A1 (0.46) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL23613252 0.76 ESR1 (0.56) ALDH1A1MAPT
SCHEMBL24590308 0.76 AGXT (0.50) ALDH1A1CYP2A6RAB9AMAOBNPC1
SCHEMBL12933614 0.75 ALDH5A1 (0.43) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL10202633 0.75 IDO1 (0.48) ALDH1A1HPGDSMN1; SMN2MAOB
SCHEMBL17518179 0.75 APP (0.49)
SCHEMBL12933624 0.75 ALDH5A1 (0.43) ALDH1A1LMNAMAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
EP-2881384-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2015-06-10 EP 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 ALDH1A1 2293/4885LMNA 4183/4885MAPT 4203/4885

“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.