SCHEMBL9216296

SCHEMBL9216296

Cc1oc2cc(F)ccc2c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.47
ALDH2 P05091 2/20 0.46
ALDH1A2 O94788 1/20 0.46
ALDH1B1 P30837 1/20 0.46
ALDH1A3 P47895 1/20 0.46
KMT2A Q03164 1/20 0.43
HSD17B3 P37058 2/20 0.42
NQO1 P15559 1/20 0.41
ACHE P22303 3/20 0.41
ESR1 P03372 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
APEX1 P27695 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR2 Q92731 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
CDK9 P50750 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL12301578 0.83 CDK9 (0.50) ALDH2ALDH1A2ALDH1B1ALDH1A3KMT2A
SCHEMBL12489574 0.78 ALDH2 (0.48) MAOBALDH2ALDH1A2ALDH1B1ALDH1A3
SCHEMBL719541 0.76 MAOB (0.44) MAOBKMT2AHSD17B3NQO1ACHE
SCHEMBL5196128 0.75 HSD17B3 (0.67) MAOBHSD17B3ESR1MAPTSMN1; SMN2
SCHEMBL20364194 0.75 ALDH1A1 (0.55) ALDH2ALDH1A2ALDH1B1ALDH1A3KMT2A
SCHEMBL24684634 0.75 MAOB (0.56) MAOBKMT2ANQO1ACHEMAPT
SCHEMBL8286023 0.75 MCL1 (0.59) MAOBALDH2ALDH1A2ALDH1B1ALDH1A3
SCHEMBL4763051 0.74 MCL1 (0.67) MAOBHSD17B3MAPTSMN1; SMN2KDM4E
SCHEMBL29839909 0.74 MAOB (0.53) MAOBKMT2AMAPTSMN1; SMN2TDP1
SCHEMBL29545850 0.74 MCL1 (0.50) MAOBKMT2AHSD17B3NQO1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
US-20230276692-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-08-31 US disclosed
US-20230011568-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-12 US disclosed
WO-2022067100-A2 PLK1 POLO BOX DOMAIN INHIBITOR AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-03-31 WO disclosed
WO-1995005079-A1 3-(BENZOFURAN-7-YL)-6-HALOALKYLURACILS FMC CORPORATION (US) 1995-02-23 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-20230011568-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE L1CAM, AP1M1, AP2M1 MAOB 2004/4885ALDH2 823/4885ALDH1A2 746/4885
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER PLK1, PLK4, BUB1B MAOB 2314/4885ALDH2 4450/4885ALDH1A2 4106/4885

“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.