SCHEMBL499274

SCHEMBL499274

C=CC(=O)OCCCCCCN(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.70
ALDH1A1 P00352 5/20 0.70
CYP3A4 P08684 1/20 0.70
HPGD P15428 1/20 0.58
TP53 P04637 2/20 0.48
HIF1A Q16665 2/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 2/20 0.41
HCAR2 Q8TDS4 1/20 0.40
DNM1 Q05193 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRM3 P20309 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL499748 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10955287 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL108310 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL499541 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11785615 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
Bromide SCHEMBL29258015 0.98 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL110235 0.98 TSHR (0.67) TSHRALDH1A1CYP3A4HPGDTP53
Bromide SCHEMBL1255400 0.96 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDTP53
Hydrochloric Acid SCHEMBL1255439 0.96 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDTP53
Iodide SCHEMBL1255015 0.96 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5321110-A Thickeners for shampoo, hair conditioners ISP INVESTMENTS INC. (US) 1994-06-14 US claimed
EP-0264897-B1 WATER REDUCIBLE ACRYLIC POLYMER FOR PRINTING OF PAPER AND POLYVINYL CHLORIDE PPG INDUSTRIES, INC. (US) 1992-07-15 EP claimed
US-4772518-A Water reducible acrylic polymer for printing of paper and polyvinyl chloride PPG INDUSTRIES, INC. (US) 1988-09-20 US claimed
EP-0264897-A2 Water reducible acrylic polymer for printing of paper and polyvinyl chloride PPG INDUSTRIES, INC. (US) 1988-04-27 EP claimed
EP-0106193-A2 Liquid skin cleanser composition UNION CARBIDE CORPORATION (US) 1984-04-25 EP claimed
US-3954960-A Hair and similar cosmetic preparations containing a quaternized copolymer of vinyl pyrrolidone GAF CORPORATION (US) 1976-05-04 US claimed
CN-120158166-A Adhesive slurry and preparation method thereof, coating diaphragm and preparation method thereof 浙江盈博莱新能源有限公司 2025-06-17 CN disclosed
US-12096767-B2 Residual disinfectant composition KIMBERLY-CLARK WORLDWIDE, INC. (US) 2024-09-24 US disclosed
US-11905428-B2 Resin compositions and methods of production MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2024-02-20 US disclosed
US-20230301297-A1 AGROCHEMICAL FORMULATIONS BASF SE (DE) 2023-09-28 US disclosed
US-20230277704-A1 Disinfectant Composition with Rapid Antiviral Efficacy KIMBERLY-CLARK WORLDWIDE, INC. 2023-09-07 US disclosed
CN-116425720-A Preparation method of delafloxacin meglumine 广东东阳光药业有限公司 2023-07-14 CN disclosed
EP-4192240-A1 AGROCHEMICAL FORMULATIONS BASF SE (DE) 2023-06-14 EP disclosed
US-4063912-A Gaseous phase adsorption using partially pyrolyzed polymer particles ROHM AND HAAS COMPANY (US) 1977-12-20 US disclosed
US-4064043-A REMOVAL OF VINYL CHLORIDE FROM GASES, BARBITURATES FROM BLOOD, PHENOLS FROM WATER ROHM AND HAAS COMPANY (US) 1977-12-20 US disclosed
US-4040990-A ADSORBERS, CATALYSTS ROHM AND HAAS COMPANY (US) 1977-08-09 US disclosed
US-4020192-A AMINO ALKYL AMIDE ACRYLIC POLYMER FUJI XEROX CO., LTD. (JA) 1977-04-26 US disclosed
US-3980769-A ANIONIC AND AMPHOTERIC SURFACTANTS L'OREAL (FR) 1976-09-14 US disclosed
US-3958581-A Cosmetic composition containing a cationic polymer and divalent metal salt for strengthening the hair L'OREAL (FR) 1976-05-25 US disclosed
US-3954960-A Hair and similar cosmetic preparations containing a quaternized copolymer of vinyl pyrrolidone GAF CORPORATION (US) 1976-05-04 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 (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-20230301297-A1 AGROCHEMICAL FORMULATIONS NOTUM, DDT, VDAC1 TSHR 4149/4885ALDH1A1 2052/4885CYP3A4 164/4885
US-12096767-B2 Residual disinfectant composition QARS1, EIF2AK2, POLL TSHR 2755/4885ALDH1A1 4167/4885CYP3A4 4354/4885
US-20230277704-A1 Disinfectant Composition with Rapid Antiviral Efficacy EIF2AK2, APOBEC3A, APOBEC3C TSHR 2150/4885ALDH1A1 545/4885CYP3A4 2824/4885

“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.