SCHEMBL21532908

SCHEMBL21532908

Cc1c(O)ccc2c1OC(F)(F)O2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.42
ESR2 Q92731 7/20 0.42
ADORA2A P29274 4/20 0.37
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
KIF11 P52732 1/20 0.30
TRPA1 O75762 1/20 0.30
ATM Q13315 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL12023060 0.80 ADORA2A (0.33) ADORA2ACTNNB1WNT3AKIF11
SCHEMBL29975823 0.80 ADORA2A (0.44) ADORA2A
SCHEMBL12744378 0.80 ADORA2A (0.38) ADORA2AKDM4E
SCHEMBL14007746 0.80 ADORA2A (0.44) ADORA2A
SCHEMBL21901486 0.78 ADORA2A (0.38) ADORA2A
SCHEMBL24986685 0.77 ADORA2A (0.37) ADORA2ACTNNB1WNT3ATRPA1
SCHEMBL12879229 0.77 ADORA2A (0.37) ADORA2A
SCHEMBL3055306 0.77 ADORA2A (0.37) ADORA2A
SCHEMBL3803226 0.77 ADORA2A (0.35) ADORA2ACTNNB1WNT3A
SCHEMBL3800470 0.75 CTNNB1 (0.37) ADORA2ACTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787430-B2 Hemoglobin modifier compounds and uses thereof FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-29 US disclosed
US-20190330181-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-10-31 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 (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-20190330181-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF HBB, HBG1, HBG2 ESR1 4267/4885ESR2 3334/4885ADORA2A 3073/4885
US-10787430-B2 Hemoglobin modifier compounds and uses thereof HBB, HBG1, HBG2 ESR1 4267/4885ESR2 3334/4885ADORA2A 3073/4885

“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.