SCHEMBL1864896

SCHEMBL1864896

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nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
MAPT P10636 1/20 0.36
PAM P19021 2/20 0.34
LMNA P02545 4/20 0.34
KDM4E B2RXH2 1/20 0.34
DUSP3 P51452 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DGKA P23743 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PGD P52209 1/20 0.31
HTT P42858 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
Ammonia Solution, Strong SCHEMBL27726717 0.96 TSHR (0.40) TSHRMAPTPAMLMNAKDM4E
SCHEMBL94759 0.91 TSHR (0.48) TSHRALDH1A1PGDHTTCYP2C9
SCHEMBL27558150 0.89 MAPT (0.53) TSHRMAPTPAMLMNAKDM4E
SCHEMBL27805190 0.89 MAPT (0.53) TSHRMAPTPAMLMNAKDM4E
SCHEMBL65559 0.89 MAPT (0.53) TSHRMAPTPAMLMNAKDM4E
SCHEMBL29761219 0.89 MAPT (0.53) TSHRMAPTPAMLMNAKDM4E
SCHEMBL27625179 0.89 TSHR (0.46) TSHRALDH1A1PGDHTTCYP2C9
SCHEMBL7035397 0.89 TSHR (0.46) TSHRALDH1A1PGDHTTCYP2C9
SCHEMBL27814847 0.88 MAPT (0.43) TSHRMAPTPAMLMNAKDM4E
SCHEMBL11021553 0.88 MAPT (0.51) TSHRMAPTPAMLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105517997-A Tetrahydrofuran derivatives and their use as plasticizers BASF SE 2016-04-20 CN disclosed
US-20110105443-A1 SALTS OF MEMANTINE AND COX-INHIBITORS AND THEIR CRYSTAL FORM IN THE TREATMENT OF PAIN LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2011-05-05 US disclosed
EP-2098500-A1 Salts of menantine and cox-inhibitors and their crystal form in the treatment of pain Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-09-09 EP 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-20110105443-A1 SALTS OF MEMANTINE AND COX-INHIBITORS AND THEIR CRYSTAL FORM IN THE TREATMENT OF PAIN OPRK1, GRIN2A, HTR2A TSHR 4171/4885MAPT 99/4885PAM 880/4885

“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.