SCHEMBL20101661

SCHEMBL20101661

CCOC(=O)C1(C(=O)OCC)CC1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 3/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
ALOX15 P16050 2/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33

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
SCHEMBL9660794 0.81 F10 (0.39) ALDH1A1POLBLMNAHSD17B10MAPK1
SCHEMBL5116398 0.80 ALOX15 (0.42) ALDH1A1POLBLMNAHSD17B10MAPK1
SCHEMBL18346711 0.80 ALOX15 (0.42) ALDH1A1POLBLMNAHSD17B10MAPK1
SCHEMBL5079218 0.79 ATM (0.38) ALDH1A1POLBLMNAHSD17B10MAPK1
SCHEMBL1964683 0.78 ALDH1A1 (0.39) ALDH1A1POLBLMNAHSD17B10MAPK1
SCHEMBL11179315 0.77 ALDH1A1 (0.37) ALDH1A1POLBLMNAHSD17B10MAPK1
SCHEMBL17444931 0.77 BRD4 (0.40) ALDH1A1POLBLMNAHSD17B10ATM
SCHEMBL13640434 0.77 BRD4 (0.40) ALDH1A1POLBLMNAHSD17B10ATM
SCHEMBL15325943 0.77 ALDH1A1 (0.37) ALDH1A1POLBLMNAHSD17B10MAPK1
SCHEMBL29192006 0.77 ALDH1A1 (0.37) ALDH1A1POLBLMNAHSD17B10ATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190248746-A1 CYCLOPROPYL UNSATURATED QUINOLINE COMPOUND USED AS LEUKOTRIENE RECEPTOR ANTAGONIST AND APPLICATIONS THEREOF GUANGDONG MOLTECH PHARMA CO LTD (CN) 2019-08-15 US disclosed
US-10315997-B2 Cyclopropyl unsaturated quinoline compound used as leukotriene receptor antagonist and applications thereof GUANGDONG MOLTECH PHARMA CO., LTD. (CN) 2019-06-11 US disclosed
US-20180118687-A1 CYCLOPROPYL UNSATURATED QUINOLINE COMPOUND USED AS LEUKOTRIENE RECEPTOR ANTAGONIST AND APPLICATIONS THEREOF GUANGDONG MOLTECH PHARMA CO., LTD. (CN) 2018-05-03 US disclosed
US-20180118687-A1 CYCLOPROPYL UNSATURATED QUINOLINE COMPOUND USED AS LEUKOTRIENE RECEPTOR ANTAGONIST AND APPLICATIONS THEREOF GUANGDONG MOLTECH PHARMA CO., LTD. (CN) 2018-05-03 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-20190248746-A1 CYCLOPROPYL UNSATURATED QUINOLINE COMPOUND USED AS LEUKOTRIENE RECEPTOR ANTAGONIST AND APPLICATIONS THEREOF LTC4S, LTB4R, CYSLTR1 ALDH1A1 1624/4885POLB 3501/4885LMNA 613/4885
US-20180118687-A1 CYCLOPROPYL UNSATURATED QUINOLINE COMPOUND USED AS LEUKOTRIENE RECEPTOR ANTAGONIST AND APPLICATIONS THEREOF LTC4S, LTB4R, CYSLTR1 ALDH1A1 1566/4885POLB 3551/4885LMNA 703/4885
US-10315997-B2 Cyclopropyl unsaturated quinoline compound used as leukotriene receptor antagonist and applications thereof LTC4S, LTB4R, CYSLTR1 ALDH1A1 1566/4885POLB 3551/4885LMNA 703/4885

“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.