SCHEMBL4398792

SCHEMBL4398792

CC(C)(C)Cc1ccc([O])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.58
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
SLC6A2 P23975 2/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ESR2 Q92731 4/20 0.37
BLM P54132 1/20 0.36
HSD11B1 P28845 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CYP2D6 P10635 2/20 0.33
LMNA P02545 1/20 0.33
FDPS P14324 1/20 0.30
CYP3A4 P08684 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 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
SCHEMBL6685103 0.86 ESR1 (0.74) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL21100336 0.78 ESR1 (0.64) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL394340 0.76 ESR1 (0.61) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL861221 0.76 ESR1 (0.61) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL15706822 0.76 ESR1 (0.61) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL7191433 0.74 PANK3 (0.32) ESR1FDPS
SCHEMBL19454941 0.74 ESR1 (0.58) ESR1THRATHRBESR2LMNA
SCHEMBL73405 0.74 ESR1 (1.00) ESR1THRATHRBSLC6A2SLC6A4
SCHEMBL5365005 0.74 ESR1 (0.58) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL19848644 0.74 ESR1 (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024084974-A1 METHOD FOR PRODUCING CYCLIC OLEFIN COPOLYMER ポリプラスチックス株式会社 2024-04-25 WO disclosed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 ESR1 4389/4885THRA 4125/4885THRB 3053/4885

“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.