SCHEMBL25490409

SCHEMBL25490409

CC(C)c1ccc(CC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.54
IDO1 P14902 2/20 0.48
ADRB1 P08588 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PYCR1 P32322 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GHSR Q92847 1/20 0.38
TYR P14679 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38

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
SCHEMBL247421 0.82 IDO1 (0.45) ESR1IDO1ADRB1SLC6A4SLC6A2
SCHEMBL564834 0.82 SLC6A2 (0.63) IDO1ADRB1SLC6A4SLC6A2HTR2A
SCHEMBL6685103 0.82 ESR1 (0.74) ESR1THRATHRBSLC6A4SLC6A2
Hydrochloric Acid SCHEMBL8528039 0.80 SLC6A2 (0.61) IDO1ADRB1SLC6A4SLC6A2HTR2A
SCHEMBL9746418 0.80 IDO1 (0.44) ESR1IDO1ADRB1SLC6A4SLC6A2
SCHEMBL25449042 0.80 ESR1 (0.44) ESR1IDO1ADRB1THRATHRB
SCHEMBL12050478 0.79 IDO1 (0.47) IDO1ADRB1PYCR1L3MBTL1TYR
SCHEMBL18367846 0.79 ESR1 (0.52) ESR1THRATHRBSLC6A4SLC6A2
SCHEMBL23395239 0.79 IDO1 (0.42) ESR1IDO1ADRB1SLC6A4SLC6A2
SCHEMBL28092599 0.79 ESR1 (0.47) ESR1THRATHRBSLC6A2HTR2A

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-11661418-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-05-30 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-11661418-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 ESR1 4540/4885IDO1 3850/4885ADRB1 4594/4885

“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.