SCHEMBL21141111

SCHEMBL21141111

CC(C)(C)Nc1ccccc1-c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.47
ABCB1 P08183 2/20 0.47
BCR P11274 2/20 0.47
IDO1 P14902 1/20 0.46
ESR2 Q92731 6/20 0.43
MMP3 P08254 1/20 0.41
BCL2L1 Q07817 1/20 0.41
ESR1 P03372 5/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
LMNA P02545 1/20 0.39
TACR1 P25103 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL13900391 0.86 SMN1; SMN2 (0.43) IDO1ALDH1A1LMNATACR1SMN1; SMN2
SCHEMBL18238945 0.80 ABL1 (0.50) ABL1ABCB1BCRIDO1ESR2
SCHEMBL21141090 0.79 PDE4A (0.36) ABL1ABCB1BCRMMP3BCL2L1
SCHEMBL21141091 0.79 ESR2 (0.49) IDO1ESR2ESR1ADORA2AADORA1
SCHEMBL14302570 0.78 ABL1 (0.52) ABL1ABCB1BCRESR2MMP3
SCHEMBL7608259 0.77 GSTP1 (0.47) ESR2ESR1ADORA2AADORA1
SCHEMBL18415207 0.76 SMN1; SMN2 (0.46) ABL1ABCB1BCRIDO1ESR2
SCHEMBL21141310 0.76 ABL1 (0.46) ABL1ABCB1BCRIDO1ESR2
SCHEMBL14310390 0.76 ABL1 (0.50) ABL1ABCB1BCRESR2MMP3
SCHEMBL21522574 0.74 ALDH1A1 (0.52) ALDH1A1CYP3A4LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190185461-A1 BENZOCYCLIC DERIVATIVE HAVING B2-RECEPTOR AGONIST ACTIVITY AND M3-RECEPTOR ANTAGONIST ACTIVITY AND MEDICAL USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-06-20 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 (1 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-20190185461-A1 BENZOCYCLIC DERIVATIVE HAVING B2-RECEPTOR AGONIST ACTIVITY AND M3-RECEPTOR ANTAGONIST ACTIVITY AND MEDICAL USE THEREOF HCAR2, CHRM3, BDKRB2 ABL1 4549/4885ABCB1 569/4885BCR 3010/4885

“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.