SCHEMBL3583405

SCHEMBL3583405

CC1(C)OC(=O)C(=CNc2ccccc2)C(=O)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 1.00
TSHR P16473 1/20 0.73
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 1/20 0.67
RAB9A P51151 1/20 0.66
HSD17B10 Q99714 3/20 0.63
MAPK1 P28482 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.53
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL3862485 0.86 ALDH1A1 (0.74) ALDH1A1TSHRCYP1A2CYP3A4RAB9A
SCHEMBL3865559 0.86 ALDH1A1 (0.74) ALDH1A1TSHRCYP1A2CYP3A4RAB9A
SCHEMBL12786989 0.86 ALDH1A1 (0.75) ALDH1A1TSHRCYP1A2CYP3A4RAB9A
SCHEMBL15555582 0.86 ALDH1A1 (0.75) ALDH1A1TSHRCYP1A2CYP3A4RAB9A
SCHEMBL2206756 0.84 ALDH1A1 (0.73) ALDH1A1TSHRCYP1A2CYP3A4RAB9A
SCHEMBL601203 0.84 ALDH1A1 (0.73) ALDH1A1TSHRCYP1A2CYP3A4RAB9A
SCHEMBL5739160 0.84 ALDH1A1 (1.00) ALDH1A1TSHRCYP1A2CYP3A4RAB9A
SCHEMBL14075911 0.83 ALDH1A1 (0.71) ALDH1A1TSHRCYP1A2CYP3A4RAB9A
SCHEMBL3862232 0.82 ALDH1A1 (0.68) ALDH1A1TSHRCYP1A2CYP3A4RAB9A
SCHEMBL17531610 0.82 ALDH1A1 (0.70) ALDH1A1TSHRCYP1A2CYP3A4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2021-09-09 US disclosed
US-11014906-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2021-05-25 US disclosed
CN-110540534-B Synthetic method of organic intermediate compound 枣庄学院 2020-11-13 CN disclosed
US-20200062728-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2020-02-27 US disclosed
CN-110540534-A Synthetic method of organic intermediate compound UNIV ZAOZHUANG 2019-12-06 CN disclosed
EP-2951158-B1 PROCESS FOR THE PREPARATION OF IVACAFTOR AND SOLVATES THEREOF GLENMARK PHARMACEUTICALS LTD (IN) 2019-05-29 EP disclosed
US-10017516-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-07-10 US disclosed
US-9957233-B1 Process for preparing substituted quinolin-4-ol compounds CALITOR SCIENCES, LLC (US) 2018-05-01 US disclosed
US-9957233-B1 Process for preparing substituted quinolin-4-ol compounds CALITOR SCIENCES, LLC (US) 2018-05-01 US disclosed
WO-2018026877-A1 PROCESS FOR PREPARING SUBSTITUTED QUINOLIN-4-OL COMPOUNDS CALITOR SCIENCES, LLC (US) 2018-02-08 WO disclosed
EP-1583537-A3 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
EP-1583537-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-10-12 EP disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
US-5506235-A Quinoline derivatives as immunostimulants PFIZER INC. (US) 1996-04-09 US disclosed
EP-0597003-A1 QUINOLINE DERIVATIVES AS IMMUNOSTIMULANTS PFIZER INC. (US) 1994-05-18 EP disclosed
WO-1993003030-A1 QUINOLINE DERIVATIVES AS IMMUNOSTIMULANTS PFIZER INC. (US) 1993-02-18 WO 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-20200062728-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 CDK8, CDK9, CDK19 ALDH1A1 4568/4885TSHR 3516/4885CYP1A2 2934/4885
US-11014906-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 ALDH1A1 4568/4885TSHR 3431/4885CYP1A2 2938/4885
US-10017516-B2 BMP inhibitors and methods of use thereof BMP1, BMPR2, BMP2 ALDH1A1 4531/4885TSHR 2657/4885CYP1A2 2823/4885
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 CDK8, CDK9, CDK19 ALDH1A1 4568/4885TSHR 3516/4885CYP1A2 2934/4885

“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.