SCHEMBL27428301

SCHEMBL27428301

COCc1ccc(C(C)Cc2ccc(OCc3ccc(C(C)C)cc3F)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
MAOB P27338 4/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
FFAR1 O14842 1/20 0.37
SCN9A Q15858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
ACACA Q13085 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
S1PR1 P21453 1/20 0.34

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
SCHEMBL20665441 0.81 IDO1 (0.39)
SCHEMBL27420873 0.77 HDAC1 (0.44) MAOBFFAR1SCN9ANPC1RAB9A
SCHEMBL26581160 0.76 MAOB (0.55) MAOBRXRARXRBSCN9AKDM4E
SCHEMBL19121739 0.72 ACACB (0.42) MMEACECPA1ACE2MAOB
SCHEMBL17129304 0.70 DGAT1 (0.40) MAOBESR2FFAR1NPC1RAB9A
SCHEMBL3640360 0.70 IDO1 (0.41)
SCHEMBL4228724 0.70 IDO1 (0.41)
SCHEMBL11994363 0.69 IDO1 (0.36)
SCHEMBL15132934 0.68 MAOB (0.59) MAOBSCN9ANPC1RAB9A
SCHEMBL19121156 0.68 ESR1 (0.41) ESR1ESR2POLB

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-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 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-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R MME 3021/4885ACE 3120/4885CPA1 3186/4885

“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.