SCHEMBL16383003

SCHEMBL16383003

CC(C)(C)Cc1cccc(-c2ncco2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.43
▸ BACE1 P56817 4/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ EDNRA P25101 6/20 0.38
▸ EDNRB P24530 5/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ BACE2 Q9Y5Z0 3/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CHRNA10 Q9GZZ6 1/20 0.35
▸ CHRNA9 Q9UGM1 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34

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
SCHEMBL12648428 0.83 NOTUM (0.50) HPGDSCYP3A4LTA4HMAPK1HCRTR1
SCHEMBL25488454 0.82 MAPK1 (0.43) HPGDSCYP3A4LTA4HEDNRAEDNRB
SCHEMBL16382998 0.81 LTA4H (0.46) HPGDSLTA4HEDNRAEDNRBCHRNA7
SCHEMBL1804513 0.80 PRKCI (0.53) HPGDSCYP3A4LTA4HMAPK1HCRTR1
SCHEMBL28164766 0.80 HPGDS (0.46) HPGDSCYP3A4LTA4HHCRTR1HCRTR2
SCHEMBL9454674 0.80 HPGDS (0.46) HPGDSBACE1CYP3A4LTA4HEDNRA
SCHEMBL9863754 0.80 HPGDS (0.46) HPGDSBACE1CYP3A4LTA4HEDNRA
SCHEMBL14983820 0.79 HPGDS (0.43) HPGDSBACE1CYP3A4LTA4HEDNRA
SCHEMBL9507339 0.78 HPGDS (0.53) HPGDSCYP3A4LTA4HHCRTR1HCRTR2
SCHEMBL3964365 0.78 HPGDS (0.58) HPGDSBACE1LTA4HBACE2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416149-B2 Methods to modulate Rac1 import and to treat pulmonary fibrosis UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-08-16 — — US disclosed
US-20150005261-A1 METHODS TO MODULATE RAC1 IMPORT AND TO TREAT PULMONARY FIBROSIS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2015-01-01 — — 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 (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-20150005261-A1 METHODS TO MODULATE RAC1 IMPORT AND TO TREAT PULMONARY FIBROSIS RHOT2, RHOA, RAC1 HPGDS 923/4885BACE1 4486/4885CYP3A4 4668/4885

“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.

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