SCHEMBL5723536

SCHEMBL5723536

COc1cccc2cc(CC(C)C)oc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 5/20 0.49
CYP2A6 P11509 1/20 0.47
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 4/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
PKM P14618 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47

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
SCHEMBL348215 0.82 LMNA (0.54) LMNARECQLKMT2AALDH1A1CYP2A6
SCHEMBL72493 0.81 LMNA (0.53) LMNARECQLKMT2AALDH1A1CYP2A6
SCHEMBL121110 0.81 LMNA (0.53) LMNARECQLKMT2AALDH1A1CYP2A6
SCHEMBL73352 0.81 LMNA (0.56) LMNARECQLKMT2AALDH1A1CYP2A6
SCHEMBL6606644 0.81 LMNA (0.53) LMNARECQLKMT2AALDH1A1CYP2A6
SCHEMBL11303560 0.78 LMNA (0.54) LMNARECQLKMT2AALDH1A1CYP2A6
SCHEMBL73237 0.78 ALDH1A1 (0.52) LMNARECQLKMT2AALDH1A1CYP2A6
SCHEMBL7050133 0.78 NPC1 (0.50) LMNARECQLKMT2AALDH1A1CYP2A6
SCHEMBL1864946 0.78 CHRM2 (0.40) LMNARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL5722855 0.77 KMT2A (0.55) LMNARECQLKMT2AALDH1A1CYP2A6

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
EP-0771794-B1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-05-03 EP disclosed
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US disclosed
EP-0771794-A1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-07 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 LMNA 1848/4885RECQL 1091/4885KMT2A 4289/4885

“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.