SCHEMBL23917026

SCHEMBL23917026

CC(C)(C)OCc1cccc(C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.41
MAOB P27338 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41
ADRB1 P08588 1/20 0.40
IDH1 O75874 5/20 0.40
IDH2 P48735 1/20 0.40
ADAMTS4 O75173 1/20 0.39
MMP13 P45452 1/20 0.39
GRM5 P41594 1/20 0.39
P2RX7 Q99572 1/20 0.38
ADORA2A P29274 1/20 0.36
KCNH2 Q12809 1/20 0.34
NOTUM Q6P988 1/20 0.34
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 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
SCHEMBL14821170 0.83 KCNH2 (0.47) KCNH2GRIN1GRIN2B
SCHEMBL10457224 0.82 MBOAT4 (0.43) MBOAT4MAOBHTR2CSLC6A4HTR2B
SCHEMBL19540542 0.80 MAOB (0.43) MBOAT4MAOBHTR2CSLC6A4HTR2B
SCHEMBL23793182 0.78 ADAMTS4 (0.43) MBOAT4MAOBHTR2CSLC6A4HTR2B
SCHEMBL10202962 0.77 IDH1 (0.46) MBOAT4ADRB1IDH1IDH2GRM5
SCHEMBL6841102 0.77 MEN1 (0.41) MBOAT4MAOBGRM5P2RX7KCNH2
SCHEMBL2324124 0.76 P2RX7 (0.43) MBOAT4MAOBHTR2CSLC6A4HTR2B
SCHEMBL19463634 0.76 ADAMTS4 (0.44) MBOAT4MAOBHTR2CSLC6A4HTR2B
SCHEMBL29376088 0.76 IDH1 (0.42) MBOAT4MAOBHTR2CSLC6A4HTR2B
SCHEMBL28447497 0.75 MAOB (0.43) MBOAT4MAOBHTR2CSLC6A4HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2021-10-14 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-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS MBOAT4 4756/4885MAOB 4707/4885HTR2C 3159/4885

“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.