SCHEMBL2403628

SCHEMBL2403628

COc1ccc(CC[C](C)C)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.61
KDM4E B2RXH2 1/20 0.61
CA2 P00918 2/20 0.59
POLB P06746 1/20 0.58
CYP19A1 P11511 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
STAT3 P40763 1/20 0.57
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
MAPT P10636 1/20 0.56
AOC3 Q16853 1/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL269005 0.85 NPC1 (0.61) ATMKDM4ECA2POLBCYP19A1
SCHEMBL16641094 0.83 CYP19A1 (0.77) ATMKDM4ECA2POLBCYP19A1
SCHEMBL31157848 0.83 CYP19A1 (0.77) ATMKDM4ECA2POLBCYP19A1
SCHEMBL3579994 0.83 ALOX5 (0.66) ATMKDM4ECA2POLBCYP1A2
SCHEMBL10899432 0.82 CA2 (0.57) ATMKDM4ECA2POLBCYP19A1
SCHEMBL11265688 0.81 MAPT (0.61) ATMKDM4ECA2POLBCYP19A1
SCHEMBL28176844 0.81 KDM4E (0.62) ATMKDM4ECA2CYP19A1AOC3
SCHEMBL347209 0.81 FFAR4 (0.61) ATMKDM4ECA2KMT2AMEN1
SCHEMBL1032004 0.81 KDM4E (0.62) ATMKDM4ECA2CYP19A1AOC3
SCHEMBL1302702 0.81 KMT2A (0.64) ATMKDM4ECA2POLBCYP19A1

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
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
US-6218424-B1 FOR EFFECTING NEURONAL ACTIVITIES IN ANIMALS, INCLUDING TREATING NEUROLOGICAL DISORDERS GPI NIL HOLDINGS, INC. 2001-04-17 US disclosed
CN-1020607-C PROCESS FOR PREPARATION OF BENZOTHIAZINE DERIVS. HOECHST AG (DE) 1993-05-12 CN disclosed
CN-85101312-A Process for preparing Benzothiazine derivatives 1987-04-08 CN 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 ATM 4794/4885KDM4E 452/4885CA2 985/4885

“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.