SCHEMBL719569

SCHEMBL719569

COc1ccc2occ(C)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
HPGD P15428 3/20 0.57
HSD17B10 Q99714 3/20 0.57
KDM4E B2RXH2 2/20 0.57
LMNA P02545 2/20 0.54
TSHR P16473 2/20 0.54
HTT P42858 2/20 0.54
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAOB P27338 4/20 0.50
NPC1 O15118 2/20 0.50
MAOA P21397 2/20 0.50
MAPT P10636 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL31299896 0.85 PIN1 (0.58) ALDH1A1HPGDHSD17B10KDM4EHTT
SCHEMBL10171847 0.85 PIN1 (0.58) ALDH1A1HPGDHSD17B10KDM4EHTT
SCHEMBL28047070 0.81 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL18416022 0.80 KDM4E (0.60) ALDH1A1HPGDHSD17B10KDM4ETSHR
SCHEMBL3376213 0.79 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL13657349 0.79 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL17321065 0.79 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL17324090 0.79 TSHR (0.47) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL4130899 0.78 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL4454971 0.75 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRSMN1; SMN2KMT2A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10907197-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2021-02-02 US disclosed
US-10907197-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2021-02-02 US disclosed
EP-3190888-B1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2020-06-10 EP disclosed
EP-3124478-B1 NOVEL ORGANOLEPTIC COMPOUNDS INT FLAVORS & FRAGRANCES INC (US) 2018-10-31 EP disclosed
US-9816048-B2 Organoleptic compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-11-14 US disclosed
US-9816048-B2 Organoleptic compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-11-14 US disclosed
US-9816048-B2 Organoleptic compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-11-14 US disclosed
CN-105164112-B Amide compound and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2017-10-13 CN disclosed
US-20170292150-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2017-10-12 US disclosed
US-20170292150-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2017-10-12 US disclosed
US-9212336-B2 3-methyl-benzofuran-5-ol and its use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2015-12-15 US disclosed
US-9212336-B2 3-methyl-benzofuran-5-ol and its use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2015-12-15 US disclosed
US-20150111810-A1 3-METHYL-BENZOFURAN-5-OL AND ITS USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2015-04-23 US disclosed
US-20150111810-A1 3-METHYL-BENZOFURAN-5-OL AND ITS USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2015-04-23 US disclosed
US-20150111810-A1 3-METHYL-BENZOFURAN-5-OL AND ITS USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2015-04-23 US disclosed
EP-2862918-A1 3-methyl-benzofuran-5-ol and its use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2015-04-22 EP disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (4 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP ALDH1A1 504/4885HPGD 486/4885HSD17B10 691/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP ALDH1A1 504/4885HPGD 486/4885HSD17B10 691/4885
US-10907197-B2 Probes for imaging huntingtin protein HTT, HYPK, FABP7 ALDH1A1 3949/4885HPGD 2117/4885HSD17B10 883/4885
US-20170292150-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, FABP7 ALDH1A1 3949/4885HPGD 2117/4885HSD17B10 883/4885

“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.