SCHEMBL5026754

SCHEMBL5026754

COc1cccc2oc3ccccc3c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.74
ALDH1A1 P00352 7/20 0.57
KDM4E B2RXH2 6/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 2/20 0.57
LMNA P02545 1/20 0.57
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
CYP2A6 P11509 1/20 0.53
ESR1 P03372 1/20 0.50
KDM5A P29375 1/20 0.50
ESR2 Q92731 1/20 0.50
CYP3A4 P08684 5/20 0.49
HPGD P15428 5/20 0.49
HSD17B10 Q99714 4/20 0.49
MAPT P10636 4/20 0.49
TP53 P04637 2/20 0.49
AR P10275 1/20 0.49
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 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
SCHEMBL640746 0.85 MAOA (1.00) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL24628172 0.84 MAOA (0.64) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL10593907 0.82 MAOA (0.66) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL24454824 0.80 MAOA (0.55) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL6002951 0.80 MAOA (0.50) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL24628170 0.79 MAOA (0.58) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL28967393 0.79 MAOA (0.56) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL13990695 0.79 CYP2A6 (0.57) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL22355544 0.79 AHR (0.54) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL1301907 0.78 MAOA (0.75) MAOAALDH1A1KDM4ENPC1RAB9A

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-20240023359-A1 ORGANIC LIGHT-EMITTING DEVICE COMPRISING NOVEL ORGANIC COMPOUND IN EMISSION LAYER SFC CO., LTD. (KR) 2024-01-18 US disclosed
US-20230192695-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS UNIV ARIZONA STATE (US) 2023-06-22 US disclosed
US-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2008-06-19 US disclosed
US-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 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-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LTC4S, TSLP, GPR119 MAOA 977/4885ALDH1A1 2372/4885KDM4E 4205/4885
US-20230192695-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS TTPA, TTC14, AAAS MAOA 934/4885ALDH1A1 2839/4885KDM4E 3740/4885

“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.