SCHEMBL1567091

SCHEMBL1567091

COC(C)(C)OCc1ccccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
TAAR1 Q96RJ0 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 3/20 0.39
RIPK1 Q13546 1/20 0.38
PARP10 Q53GL7 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 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
SCHEMBL841507 0.84 IDO1 (0.55) IDO1TAAR1ALDH1A1MAPTRAB9A
SCHEMBL29765549 0.80 PYCR1 (0.37) IDO1ALDH1A1MAPTRAB9ANPC1
SCHEMBL1567609 0.80 PYCR1 (0.37) IDO1ALDH1A1MAPTRAB9ANPC1
SCHEMBL31009547 0.80 ALOX15 (0.31)
SCHEMBL30562820 0.79 GAA (0.31) IDO1ALDH1A1HTT
SCHEMBL3301640 0.79 GAA (0.31) IDO1ALDH1A1HTT
SCHEMBL3085103 0.77 IDO1 (0.31) IDO1
SCHEMBL1146014 0.77 IDO1 (0.61) IDO1TAAR1ALDH1A1MAPTRAB9A
SCHEMBL9419161 0.76 IDO1 (0.41) IDO1TAAR1ALDH1A1MAPTRAB9A
SCHEMBL28200688 0.75 ALDH1A1 (0.42) ALDH1A1RAB9ANPC1HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4036100-A1 SPIROKETAL DERIVATIVES AND PROCESS FOR PREPARATION OF SPIROKETAL DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-08-03 EP disclosed
EP-3170834-B1 CRYSTALLINE FORMS OF (1S,3'R,4'S,5'S,6'R)-6-[(4-ETHYLPHENYL)METHYL]-3',4',5',6'-TETRAHYDRO-6'-(HYDROXYMETHYL)SPIRO[ISOBENZOFURAN-1(3H) 2'-[2H]PYRAN]-3',4',5'-TRIOL CHUGAI PHARMACEUTICAL CO LTD (JP) 2022-02-09 EP disclosed
EP-3170834-A1 CRYSTALLINE FORMS OF (1S,3'R,4'S,5'S,6'R)-6-[(4-ETHYLPHENYL)METHYL]-3',4',5',6'-TETRAHYDRO-6'- (HYDROXYMETHYL)SPIRO[ISOBENZOFURAN-1(3H) 2'-[2H]PYRAN]-3',4',5'-TRIOL Chugai Seiyaku Kabushiki Kaisha (JP) 2017-05-24 EP disclosed
EP-2308886-B1 PROCESS FOR THE PRODUCTION OF A SPIROKETAL DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2016-12-07 EP disclosed
US-9163051-B2 Crystal of spiroketal derivatives and process for preparation of spiroketal derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-20 US disclosed
US-20140024817-A1 CRYSTAL OF SPIROKETAL DERIVATIVES AND PROCESS FOR PREPARATION OF SPIROKETAL DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-01-23 US disclosed
US-8569520-B2 Crystal of spiroketal derivatives and process for preparation of spiroketal derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-10-29 US disclosed
US-20110306778-A1 CRYSTAL OF SPIROKETAL DERIVATIVES AND PROCESS FOR PREPARATION OF SPIROKETAL DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-12-15 US disclosed
EP-2308886-A1 CRYSTAL OF SPIROKETAL DERIVATIVE, AND PROCESS FOR PRODUCTION THEREOF Chugai Seiyaku Kabushiki Kaisha (JP) 2011-04-13 EP disclosed
EP-0955304-B1 Bridged metallocene complexes for the (co)polymerization of olefins POLIMERI EUROPA SPA (IT) 2003-09-03 EP disclosed
US-6417418-B2 SUCH AS 1,3-PROPENYLIDENE-(1-INDENYL)2 ZIRCONIUM DICHLORIDE; HIGH ACTIVITY, MAKES HIGH MOLECULAR WEIGHT POLYMERS ENICHEM S.P.A. (IT) 2002-07-09 US disclosed
US-20010031885-A1 Bridged metallocene complex for the (co) polymerization of olefins ENICHEM S.P.A. (IT) 2001-10-18 US disclosed
US-6211110-B1 Bridged metallocene complex for the (co)polymerization of olefins ENICHEM S.P.A. (IT) 2001-04-03 US disclosed
EP-0955304-A2 Bridged metallocene complex for the (co)polymerization of olefins Enichem S.p.A. (IT) 1999-11-10 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 (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-20110306778-A1 CRYSTAL OF SPIROKETAL DERIVATIVES AND PROCESS FOR PREPARATION OF SPIROKETAL DERIVATIVES KLK6, WNK1, WNK3 IDO1 3360/4885TAAR1 1651/4885ALDH1A1 599/4885
US-20140024817-A1 CRYSTAL OF SPIROKETAL DERIVATIVES AND PROCESS FOR PREPARATION OF SPIROKETAL DERIVATIVES KLK6, WNK1, WNK3 IDO1 3360/4885TAAR1 1651/4885ALDH1A1 599/4885
US-20010031885-A1 Bridged metallocene complex for the (co) polymerization of olefins POF1B, MACF1, HAO2 IDO1 2635/4885TAAR1 2334/4885ALDH1A1 2395/4885

“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.