SCHEMBL7789814

SCHEMBL7789814

CN1CC=CC=C1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BRD4 O60885 2/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
MAPT P10636 1/20 0.31
MAOA P21397 2/20 0.30
MAOB P27338 2/20 0.30
HRH4 Q9H3N8 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
SCHEMBL10521310 0.80 GAA (0.47) KMT2AMAPTHRH4
SCHEMBL11103519 0.79
SCHEMBL31491478 0.79 PLA2G7 (0.36) KMT2AALDH1A1BRD4
SCHEMBL10518622 0.78 CYP2A6 (0.45) ALDH1A1MAPT
SCHEMBL28060781 0.76 NPC1 (0.36) KMT2AMAPT
SCHEMBL3793801 0.73 CRHBP (0.34) KMT2AALDH1A1CRHBPCRHR2
SCHEMBL18967438 0.69 PTGS1 (0.34) KMT2AALDH1A1BRD4MAPTMAOA
SCHEMBL11090349 0.68
SCHEMBL21861302 0.67 TRPV4 (0.39)
SCHEMBL6380762 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6232326-B1 SUFFICIENT TO REDUCE DOPAMINE LEVELS IN SUBCORTICAL AREAS OF THE BRAIN WITHOUT CAUSING SYMPTOMS OF PARKINSON'S DISEASE; PERMANENT OR LONG-TERM AMELIORATION OF SYMPTOMS ALPHA RESEARCH GROUP, LLC 2001-05-15 US claimed
US-20210028368-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-01-28 US disclosed
EP-3322693-B1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2020-02-12 EP disclosed
WO-2017078403-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-05-11 WO disclosed
CN-102883607-B Compounds for the treatment of cancer GTX INC 2015-07-22 CN disclosed
WO-2015046916-A1 A COMBINATION OF A HOST COMPOUND AND A DOPANT COMPOUND ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-04-02 WO disclosed
US-20010020013-A1 Ortho-diphenol compounds, methods and pharmaceutical compositions for inhibiting parp GUILFORD PHARMACEUTICALS, INC. 2001-09-06 US disclosed
US-6232326-B1 SUFFICIENT TO REDUCE DOPAMINE LEVELS IN SUBCORTICAL AREAS OF THE BRAIN WITHOUT CAUSING SYMPTOMS OF PARKINSON'S DISEASE; PERMANENT OR LONG-TERM AMELIORATION OF SYMPTOMS ALPHA RESEARCH GROUP, LLC 2001-05-15 US 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-20210028368-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME EHD1, HVCN1, CRY1 KMT2A 1783/4885ALDH1A1 23/4885BRD4 1647/4885
US-20010020013-A1 Ortho-diphenol compounds, methods and pharmaceutical compositions for inhibiting parp PARP3, PARP1, PARP2 KMT2A 1946/4885ALDH1A1 373/4885BRD4 494/4885

“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.