SCHEMBL135319

SCHEMBL135319

CC(C)OC(=O)CC(=O)COCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.46
FAAH O00519 4/20 0.42
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MGLL Q99685 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.40
CTSB P07858 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
SCHEMBL28008248 0.87 TSHR (0.64) TSHRNPC1MAPTFAAHPTPRC
SCHEMBL132139 0.84 NPC1 (0.46) NPC1MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL126148 0.84 NPC1 (0.55) TSHRNPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6702666 0.82 TSHR (0.56) TSHRNPC1MAPTPTPRCPTPN1
SCHEMBL18601228 0.81 NPC1 (0.52) TSHRNPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL11525397 0.81 ALDH1A1 (0.58) TSHRNPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL22087977 0.80 TSHR (0.58) TSHRNPC1MAPTFAAHALDH1A1
SCHEMBL53331 0.80 PPID (0.49) TSHRNPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL7430396 0.80 TSHR (0.62) TSHRNPC1MAPTALDH1A1RAB9A
SCHEMBL9622282 0.79 NPC1 (0.52) TSHRNPC1MAPTPTPRCPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019002407-A1 PROCESS FOR THE PREPARATION OF TIPIRACIL HYDROCHLORIDE AMNEAL PHARMACEUTICALS COMPANY GMBH (CH) 2019-01-03 WO disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
CN-101374844-B Pyrrolopyridazinone compound UBE INDUSTRIES 2012-10-24 CN disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
EP-1277748-B1 Process for producing optically active y-Butyrolactone TAKASAGO PERFUMERY CO LTD (JP) 2004-04-21 EP disclosed
EP-1403262-A1 Process for producing optically active alpha butyrolactone Takasago International Corporation (JP) 2004-03-31 EP disclosed
US-6608214-B2 Hydrogenating optically active 4-substituted oxy-3-hydroxy-butyrate followed by simultaneous deprotection and ring closure; economic and efficient synthesis TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-08-19 US disclosed
US-20030105341-A1 Process for producing optically active gamma-butyrolactone TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-06-05 US disclosed
EP-1277748-A1 Process for producing optically active y-Butyrolactone Takasago International Corporation (JP) 2003-01-22 EP disclosed
US-4421922-A Process for the production of tetronic acid LONZA LTD. (CH) 1983-12-20 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-20030105341-A1 Process for producing optically active gamma-butyrolactone HSD17B10, HSD17B1, HSD17B12 TSHR 4191/4885NPC1 4560/4885MAPT 2971/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 TSHR 1420/4885NPC1 1907/4885MAPT 4877/4885

“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.