SCHEMBL23405035

SCHEMBL23405035

CC1(COC(=O)c2ccccc2F)COC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.47
ADRB1 P08588 7/20 0.47
ADRB3 P13945 7/20 0.47
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.40
TSHR P16473 2/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL23453244 0.81 PIK3C3 (0.37) L3MBTL1
SCHEMBL5375326 0.79 LMNA (0.49) ADRB2ADRB1ADRB3MAPK1ALDH1A1
SCHEMBL14839397 0.77 ESR1 (0.42) MAPK1ALDH1A1LMNANPC1RAB9A
SCHEMBL28845789 0.75 PIK3C3 (0.33) MAPK1ALDH1A1KDM4ELMNANPC1
SCHEMBL2325118 0.73 TSHR (0.74) ADRB2ADRB1ADRB3L3MBTL1TP53
SCHEMBL18867935 0.73 TSHR (0.74) ADRB2ADRB1ADRB3L3MBTL1TP53
SCHEMBL29604433 0.73 TSHR (0.74) ADRB2ADRB1ADRB3L3MBTL1TP53
SCHEMBL6764109 0.72 HTT (0.48) L3MBTL1HTTALDH1A1KDM4ELMNA
SCHEMBL9108416 0.72 TSHR (0.41) MAPK1L3MBTL1TP53ALDH1A1LMNA
SCHEMBL11422522 0.72 TSHR (0.52) MAPK1L3MBTL1TP53ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
US-20210164005-A1 METHODS FOR INDUCING BIOORTHOGONAL REACTIVITY UNIVERSITY OF DELAWARE (US) 2021-06-03 US disclosed
US-20210164005-A1 METHODS FOR INDUCING BIOORTHOGONAL REACTIVITY UNIVERSITY OF DELAWARE (US) 2021-06-03 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-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 ADRB2 4010/4885ADRB1 4270/4885ADRB3 3939/4885

“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.