SCHEMBL7972501

SCHEMBL7972501

NC1CCOc2c(C(=O)O)cccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 1/20 0.35
G6PD P11413 1/20 0.35
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
MMP2 P08253 1/20 0.35
CDC25B P30305 1/20 0.35
ACHE P22303 1/20 0.33
MYC P01106 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 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 1.00 PARP1 (0.41) PARP1CYP2C9ALDH1A1ALOX15G6PD
Hydrochloric Acid SCHEMBL19974005 0.98 PARP1 (0.40) PARP1CYP2C9ALDH1A1ALOX15G6PD
Hydrochloric Acid SCHEMBL19974004 0.98 PARP1 (0.40) PARP1CYP2C9ALDH1A1ALOX15G6PD
SCHEMBL19973629 0.83 MAP3K14 (0.41) PARP1CYP2C9ALDH1A1ALOX15CDC25B
SCHEMBL21189327 0.82 PARP1 (0.37) PARP1ALDH1A1ACHELMNA
SCHEMBL10587461 0.78 CFD (0.42) CYP2C9ACHE
SCHEMBL8128005 0.77 NPC1 (0.51) ALDH1A1L3MBTL1LMNAMAPTTSHR
SCHEMBL8133538 0.76 CYP2C9 (0.42) PARP1CYP2C9ALDH1A1ALOX15G6PD
SCHEMBL10593024 0.76 TRPV1 (0.37) ACHE
SCHEMBL21937754 0.76 KDM4C (0.39)

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-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
WO-2018052967-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2018-03-22 WO disclosed
WO-2001009125-A1 NOVEL 8-CARBONYL CHROMAN DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AVENTIS PHARMA S.A. (FR) 2001-02-08 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 PARP1 435/4885CYP2C9 386/4885ALDH1A1 3241/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS PARP1 435/4885CYP2C9 386/4885ALDH1A1 3241/4885

“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.