SCHEMBL1156417

SCHEMBL1156417

O=C(C(c1ccccc1)C1CC1)C(c1ccccc1)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1E P28566 3/20 0.54
S1PR3 Q99500 3/20 0.54
LMNA P02545 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
CHRM3 P20309 4/20 0.50
KCNQ2 O43526 1/20 0.49
HTT P42858 1/20 0.45
IDO1 P14902 1/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
SLC6A4 P31645 1/20 0.44
FFAR1 O14842 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL28373611 0.92 HTR1E (0.65) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL193456 0.90 HTR1E (0.63) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL66920 0.87 LMNA (0.54) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL11359972 0.85 HTR1E (0.53) HTR1ES1PR3LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL11359974 0.85 LMNA (0.53) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL22188704 0.83 HTR1E (0.51) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL4176732 0.83 HTR1E (0.51) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL10298827 0.81 LMNA (0.58) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL17078315 0.80 LMNA (0.49) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL69127 0.79 HTR1E (0.65) HTR1ES1PR3LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118807-A Method for synthesizing aryl butanone by ligand-regulated nickel-catalyzed aryl cyclopropyl ketone ring-opening hydrogenation 陕西师范大学 2024-12-13 CN disclosed
EP-2242736-B1 PROCESS FOR THE PREPARATION OF PHARMACEUTICAL INTERMEDIATES EGIS GYOGYSZERGYAR NYILVANOSAN MUEKOEDOE RESZVENYTARSASAG (HU) 2011-09-14 EP disclosed
US-20110040093-A1 PROCESS FOR THE PREPARATION OF PHARMACEUTICAL INTERMEDIATE EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2011-02-17 US disclosed
EP-2242736-A1 PROCESS FOR THE PREPARATION OF PHARMACEUTICAL I NTERM EDIATES Egis Gyógyszergyár Nyilvánosan Müködö Részvénytársaság (HU) 2010-10-27 EP disclosed
WO-2009068924-A1 PROCESS FOR THE PREPARATION OF PHARMACEUTICAL I NTERM EDIATES EGIS GYÓGYSZERGYÁR NYILVÁNOSAN MÜKÖDÖ (HU) 2009-06-04 WO 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-20110040093-A1 PROCESS FOR THE PREPARATION OF PHARMACEUTICAL INTERMEDIATE CYP2F1, CYP4F3, CYP4F11 HTR1E 3664/4885S1PR3 1919/4885LMNA 4136/4885

“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.