SCHEMBL640141

SCHEMBL640141

CCOC(=O)CC(O)C(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 7/20 0.43
TRPA1 O75762 1/20 0.43
ALOX15 P16050 3/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CHRM1 P11229 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
SOAT1 P35610 1/20 0.36
CYP2D6 P10635 1/20 0.35

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
Ammonia Solution, Strong SCHEMBL639260 0.98 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16558808 0.86 MGAM (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7071465 0.80 ALDH1A1 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16865360 0.80 ALDH1A1 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1405923 0.80 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13071696 0.80 ALDH1A1 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8677 0.79
SCHEMBL7953750 0.79 L3MBTL1 (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5576933 0.78 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL15415171 0.78 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883167-B2 Ethanol extract of Antrodia camphorata for inducing apoptosis and preparation method thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-11-11 US claimed
US-20120141524-A1 ETHANOL EXTRACT OF ANTRODIA CAMPHORATA FOR INDUCING APOPTOSIS AND PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2012-06-07 US claimed
US-20100210869-A1 ETHANOL EXTRACT OF ANTRODIA CAMPHORATA FOR INDUCING APOPTOSIS AND PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-08-19 US claimed
CN-115417999-B One-dimensional polyrotaxane constructed based on coordination boron-nitrogen bond, and preparation method and application thereof 浙江大学杭州国际科创中心 2023-07-07 CN disclosed
CN-115417999-A One-dimensional polyrotaxane constructed based on coordinated boron-nitrogen bond and preparation method and application thereof 浙江大学杭州国际科创中心 2022-12-02 CN disclosed
CN-108929263-B Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-07-22 CN disclosed
US-20210276972-A1 Quinazoline Derivatives as VEGF Inhibitors GENZYME CORPORATION (US) 2021-09-09 US disclosed
US-20200262811-A1 Quinazoline Derivatives as VEGF Inhibitors GENZYME CORPORATION (US) 2020-08-20 US disclosed
EP-3666770-A1 NOVEL HETEROCYCLIC COMPOUNDS AS CDK8/19 INHIBITORS Joint Stock Company "Biocad" (RU) 2020-06-17 EP disclosed
CN-111108092-A Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-05-05 CN disclosed
US-10457664-B2 Quinazoline derivatives as VEGF inhibitors GENZYME CORPORATION (US) 2019-10-29 US disclosed
WO-2001032651-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ASTRAZENECA AB (SE) 2001-05-10 WO disclosed
CN-1218461-A Alkylaminobenzothiazole and -benzoxazole derivatives JANSSEN PHARMACEUTICA NV (NL) 1999-06-02 CN disclosed
WO-1997002259-A1 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES PHARMACIA & UPJOHN COMPANY (US) 1997-01-23 WO disclosed
US-5192765-A Smooth muscle, bowel, bladder and airway diseases PFIZER INC. (US) 1993-03-09 US disclosed
EP-0365093-B1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER INC. (US) 1992-09-02 EP disclosed
EP-0438533-A1 MUSCARINIC RECEPTOR ANTAGONISTS Pfizer Limited (GB) 1991-07-31 EP disclosed
WO-1990004583-A1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1990-05-03 WO disclosed
EP-0365093-A1 Muscarinic receptor antagonists PFIZER INC. (US) 1990-04-25 EP disclosed
US-4191688-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1980-03-04 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 (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-20210276972-A1 Quinazoline Derivatives as VEGF Inhibitors FLT1, FLT4, KDR MGAM 4804/4885GAA 4164/4885SI 4444/4885
US-10457664-B2 Quinazoline derivatives as VEGF inhibitors FLT1, FLT4, KDR MGAM 4770/4885GAA 4550/4885SI 4465/4885
US-20120141524-A1 ETHANOL EXTRACT OF ANTRODIA CAMPHORATA FOR INDUCING APOPTOSIS AND PREPARATION METHOD THEREOF BAX, API5, BCL2 MGAM 3379/4885GAA 1854/4885SI 118/4885
US-20100210869-A1 ETHANOL EXTRACT OF ANTRODIA CAMPHORATA FOR INDUCING APOPTOSIS AND PREPARATION METHOD THEREOF BAX, API5, BCL2 MGAM 3379/4885GAA 1854/4885SI 118/4885
US-20200262811-A1 Quinazoline Derivatives as VEGF Inhibitors FLT1, FLT4, KDR MGAM 4766/4885GAA 4476/4885SI 4438/4885

“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.