SCHEMBL4969374

SCHEMBL4969374

Cc1ccc(C(C)(C)C=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
CYP2A6 P11509 1/20 0.46
TDP1 Q9NUW8 2/20 0.42
ACHE P22303 2/20 0.42
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 5/20 0.36
HTT P42858 3/20 0.36
ATM Q13315 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
GAA P10253 3/20 0.36
LMNA P02545 3/20 0.36
PKM P14618 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 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
SCHEMBL4926591 0.81 TSHR (0.50) TSHRTDP1ACHENPC1MAPT
SCHEMBL43182 0.79 ALDH1A1 (0.44) TSHRCYP2A6NPC1MAPTRAB9A
SCHEMBL547849 0.78 TSHR (0.52) TSHRCYP2A6TDP1ACHENPC1
SCHEMBL7753917 0.77 ESR1 (0.56) TSHRNPC1MAPTRAB9ACA1
SCHEMBL3160077 0.77 CES2 (0.44) TSHRALDH1A1CES2CES1
SCHEMBL1806495 0.77 MEN1 (0.52) TSHRCYP2A6NPC1MAPTRAB9A
SCHEMBL3053977 0.77 CYP2A6 (0.40) TSHRCYP2A6NPC1MAPTRAB9A
SCHEMBL14820709 0.77 TP53 (0.35) TSHRNPC1MAPTRAB9AALDH1A1
SCHEMBL186764 0.77 RAB9A (0.42) ACHENPC1MAPTRAB9AALDH1A1
SCHEMBL9858415 0.77 TSHR (0.52) TSHRCYP2A6TDP1ACHENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250280857-A1 DEGRADATION-RESISTANT ALDEHYDE-CONTAINING COMPOSITIONS ZOOMESSENCE INC (US) 2025-09-11 US claimed
CN-119136683-A Degradation resistant aldehyde-containing compositions 祖姆森斯有限公司 2024-12-13 CN claimed
WO-2023215706-A1 DEGRADATION-RESISTANT ALDEHYDE-CONTAINING COMPOSITIONS ZoomEssence, Inc. (US) 2023-11-09 WO claimed
US-20250280857-A1 DEGRADATION-RESISTANT ALDEHYDE-CONTAINING COMPOSITIONS ZOOMESSENCE INC (US) 2025-09-11 US disclosed
CN-119136683-A Degradation resistant aldehyde-containing compositions 祖姆森斯有限公司 2024-12-13 CN disclosed
WO-2023215706-A1 DEGRADATION-RESISTANT ALDEHYDE-CONTAINING COMPOSITIONS ZoomEssence, Inc. (US) 2023-11-09 WO disclosed
EP-4177249-A1 IMMUNOMODULATOR Hitgen Inc. (CN) 2023-05-10 EP disclosed
US-20150246097-A9 Polyalkylene Polymer Compounds and Uses Thereof BIOGEN IDEC MA INC. (US) 2015-09-03 US disclosed
US-20150132259-A1 Polyalkylene Polymer Compounds and Uses Thereof BIOGEN IDEC MA INC. (US) 2015-05-14 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-7964599-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-06-21 US disclosed
EP-1408036-B1 PROCESS FOR PRODUCING BENZOFURAN DERIVATIVE TAKEDA PHARMACEUTICAL (JP) 2008-08-27 EP disclosed
US-7323577-B2 Process for producing benzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-29 US disclosed
US-20070259929-A1 Therapeutic Compounds ALLERGAN, INC. 2007-11-08 US disclosed
US-20060142598-A1 Process for producing benzofuran derivative TAWADA HIROYUKI 2006-06-29 US disclosed
US-7034166-B2 Process for producing benzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20040210066-A1 Process for producing benzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-10-21 US disclosed
EP-1408036-A1 PROCESS FOR PRODUCING BENZOFURAN DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-04-14 EP disclosed
WO-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed
US-4352748-A Novel acyl-polyalkylindan compounds and the use thereof as a base for perfume, as well as perfume compositions NAARDEN INTERNATIONAL N.V. (NL) 1982-10-05 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 (5 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-20040210066-A1 Process for producing benzofuran derivative IWS1, HAT1, BRD1 TSHR 3323/4885CYP2A6 361/4885TDP1 4618/4885
US-20150246097-A9 Polyalkylene Polymer Compounds and Uses Thereof HAVCR2, TLR3, CCR8 TSHR 4162/4885CYP2A6 3174/4885TDP1 3972/4885
US-20070259929-A1 Therapeutic Compounds PIGO, CYC1, COXFA4L2 TSHR 3918/4885CYP2A6 2109/4885TDP1 1880/4885
US-20150132259-A1 Polyalkylene Polymer Compounds and Uses Thereof HAVCR2, TLR3, CCR8 TSHR 4162/4885CYP2A6 3174/4885TDP1 3972/4885
US-20060142598-A1 Process for producing benzofuran derivative AHR, CBR3, HAT1 TSHR 2262/4885CYP2A6 320/4885TDP1 4682/4885

“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.