SCHEMBL851964

SCHEMBL851964

COc1ccc(C=O)c(C)c1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ERN1 O75460 5/20 0.46
TLR2 O60603 1/20 0.46
TLR1 Q15399 1/20 0.46
TLR6 Q9Y2C9 1/20 0.46
PRKDC P78527 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SRC P12931 1/20 0.42
TUBB1 Q9H4B7 1/20 0.41
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
AOX1 Q06278 1/20 0.41

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
SCHEMBL29953692 1.00 ALDH1A1 (0.52) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL1846692 0.88 ALDH1A1 (0.48) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL10541475 0.88 ALDH1A1 (0.48) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL7819525 0.83 ERN1 (0.46) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL12816057 0.83 ALDH1A1 (0.40) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL29818683 0.83 ALDH1A1 (0.48) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL29954368 0.83 ERN1 (0.66) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL738533 0.83 ERN1 (0.66) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL13605931 0.82 ERN1 (0.59) ALDH1A1ERN1TLR2TLR1TLR6
SCHEMBL6202266 0.82 ALDH1A1 (0.47) ALDH1A1TSHRKDM4ETDP1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076168-A1 AMINE-BASED AND IMINE-BASED POLYMERS, USES AND PREPARATION THEREOF LE TIEN CANH 2009-03-19 US claimed
WO-2006092057-A1 AMINE-BASED AND IMINE-BASED POLYMERS, USES AND PREPARATION THEREOF LABORATOIRES MAUVES INC. (CA) 2006-09-08 WO claimed
US-20060084176-A1 Detection of uronium salts YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-04-20 US claimed
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed
CN-115583899-B Preparation method of quantum dot catalytic amino butyronitrile compound 浙江理工大学 2023-11-21 CN disclosed
CN-115583899-A Preparation method of quantum dot catalyzed aminobutyronitrile compound 浙江理工大学 2023-01-10 CN disclosed
US-20210238170-A1 5,5-Difluoro- and 5-Fluoro-5-Methyl-C-Glycoside Derivatives Useful As Dual SGLT1 / SGLT2 Modulators JANSSEN PHARMACEUTICA NV (BE) 2021-08-05 US disclosed
EP-2968258-B1 DUAL SGLT1/SGLT2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-02-12 EP disclosed
WO-2019215633-A1 5,5-DIFLUORO- AND 5-FLUORO-5-METHYL-C-GLYCOSIDE DERIVATIVES USEFUL AS DUAL SGLT1 / SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-11-14 WO disclosed
EP-2914580-B1 THIOARYL DERIVATIVES AS GPR120 AGONISTS LG CHEMICAL LTD (KR) 2019-02-20 EP disclosed
US-4619945-A Polyene compounds useful in the treatment of allergic responses USV PHARMACEUTICAL CORP (US) 1986-10-28 US disclosed
EP-0128006-A2 A soil-disease-controlling agent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-12-12 EP disclosed
US-4446284-A Method for preparing a polymer containing pendant unsaturation THE GOODYEAR TIRE & RUBBER COMPANY (US) 1984-05-01 US disclosed
US-4444567-A ALKOXY BENZALDEHYDES, ALKOXY BENZOATES PHILLIPS PETROLEUM COMPANY (US) 1984-04-24 US disclosed
US-4197309-A AND THEIR OXIMES, USED TO INDUCE URICOSIC EFFECT WITHOUT DIURESIS ALBERT ROLAND S.A. (FR) 1980-04-08 US disclosed
US-4128648-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1978-12-05 US disclosed
US-4002616-A POLYESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-11 US disclosed
US-3962220-A ONE-STEP, AROMATIC ALDEHYDES, ACETIC ACID E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 US disclosed
US-3962221-A CONDENSATION, REDUCTION, OXIDATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 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-20210238170-A1 5,5-Difluoro- and 5-Fluoro-5-Methyl-C-Glycoside Derivatives Useful As Dual SGLT1 / SGLT2 Modulators SLC5A2, SLC5A1, SLC2A4 ALDH1A1 1070/4885TSHR 3226/4885KDM4E 1469/4885
US-20090076168-A1 AMINE-BASED AND IMINE-BASED POLYMERS, USES AND PREPARATION THEREOF SMS, INMT, SRM ALDH1A1 117/4885TSHR 3263/4885KDM4E 1007/4885

“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.