SCHEMBL19973629

SCHEMBL19973629

O=C(O)c1cccc2c1OCCC2O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.41
PARP1 P09874 1/20 0.38
CYP2C9 P11712 1/20 0.38
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 1/20 0.36
CDC25B P30305 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 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
SCHEMBL19973594 0.83 PARP1 (0.41) PARP1CYP2C9ALDH1A1ALOX15CDC25B
SCHEMBL7972501 0.83 PARP1 (0.41) PARP1CYP2C9ALDH1A1ALOX15CDC25B
SCHEMBL21189184 0.82 BRD4 (0.48) MAP3K14
SCHEMBL19973699 0.82 KDM4E (0.43) MAP3K14ALDH1A1TSHRL3MBTL1LMNA
Hydrochloric Acid SCHEMBL19974005 0.81 PARP1 (0.40) PARP1CYP2C9ALDH1A1ALOX15CDC25B
Hydrochloric Acid SCHEMBL19974004 0.81 PARP1 (0.40) PARP1CYP2C9ALDH1A1ALOX15CDC25B
SCHEMBL21937754 0.77 KDM4C (0.39)
SCHEMBL19973646 0.75 TRPV1 (0.38)
SCHEMBL19973644 0.75 TRPV1 (0.38)
SCHEMBL25166562 0.75 ADRA2A (0.50) MAP3K14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-11 US disclosed
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-11 US disclosed
US-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2019-07-25 US disclosed
US-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2019-07-25 US disclosed
WO-2018052967-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2018-03-22 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 (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-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME CBX8, HAVCR2, HCCS MAP3K14 3247/4885PARP1 435/4885CYP2C9 386/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS MAP3K14 3247/4885PARP1 435/4885CYP2C9 386/4885

“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.