SCHEMBL23399565

SCHEMBL23399565

CCCCc1c(O)nn(C)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.47
TSHR P16473 1/20 0.44
NR1H3 Q13133 1/20 0.42
CRHR1 P34998 1/20 0.42
GRM5 P41594 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 1/20 0.40
CRHBP P24387 1/20 0.40
CYP2C19 P33261 1/20 0.40
CRHR2 Q13324 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA1 P30542 1/20 0.39
GCGR P47871 1/20 0.39
ADORA2A P29274 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL23400504 0.91 MAPT (0.44) TSHRCRHR1GRM5MAPTMEN1
SCHEMBL23400460 0.88 MAPT (0.40) HSD11B1TSHRMAPTMEN1CYP1A2
SCHEMBL23400139 0.86 TP53 (0.45) HSD11B1MAPTMEN1KMT2AADORA3
SCHEMBL23401117 0.85 HSD11B1 (0.44) HSD11B1TSHRNR1H3MAPTMEN1
SCHEMBL23400958 0.85 NR1H3 (0.50) HSD11B1TSHRNR1H3MAPTMEN1
SCHEMBL23402677 0.84 GRM5 (0.48) HSD11B1TSHRNR1H3CRHR1GRM5
SCHEMBL23402916 0.84 HSD11B1 (0.42) HSD11B1TSHRNR1H3MAPTMEN1
SCHEMBL23398506 0.84 MAPT (0.40) HSD11B1MAPTGCGRKDM4EALDH1A1
SCHEMBL23400090 0.82 CYP2C19 (0.47) HSD11B1TSHRMAPTCYP1A2KMT2A
SCHEMBL650309 0.82 GCGR (0.46) HSD11B1TSHRNR1H3CRHR1GRM5

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed
US-20170000897-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. 2017-01-05 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-20170000897-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM HSD11B1 4408/4885TSHR 2609/4885NR1H3 3140/4885

“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.