SCHEMBL6239697

SCHEMBL6239697

[O]C(C=O)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.57
TAAR1 Q96RJ0 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.46
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
SLC6A2 P23975 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MDM2 Q00987 1/20 0.42
ADH1B P00325 1/20 0.41

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
SCHEMBL9220594 0.79 EPHX1 (0.50) EPHX1TAAR1MEN1KMT2ACYP1A2
SCHEMBL233264 0.79 EPHX1 (0.50) EPHX1TAAR1MEN1KMT2ACYP1A2
SCHEMBL7266299 0.78 EPHX1 (0.54) EPHX1TAAR1MEN1KMT2ACYP1A2
SCHEMBL5612637 0.78 EPHX1 (0.54) EPHX1TAAR1MEN1KMT2ACYP1A2
SCHEMBL96988 0.76 EPHX1 (0.46) EPHX1TAAR1MEN1KMT2ACYP1A2
SCHEMBL96989 0.76 EPHX1 (0.46) EPHX1TAAR1MEN1KMT2ACYP1A2
SCHEMBL19360595 0.74 EPHX1 (0.50) EPHX1TAAR1MEN1KMT2ACYP1A2
SCHEMBL309963 0.74 EPHX1 (0.56) EPHX1TAAR1MEN1KMT2ACYP1A2
SCHEMBL122782 0.74 EPHX1 (0.50) EPHX1TAAR1MEN1KMT2ACYP1A2
SCHEMBL15317143 0.74 EPHX1 (0.50) EPHX1TAAR1MEN1KMT2ACYP1A2

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
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 US claimed
US-20050101623-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-05-12 US claimed
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 US disclosed
US-20050101623-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-05-12 US disclosed
WO-2005009370-A2 BETA-CARBOLINE COMPOUNDS AND ANALOGUES THEREOF AND THEIR USE AS MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2005-02-03 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 (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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 EPHX1 4712/4885TAAR1 2305/4885MEN1 1063/4885
US-20050101623-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAP4K2, MAPKAPK2, MAP3K2 EPHX1 3926/4885TAAR1 2784/4885MEN1 1909/4885

“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.