SCHEMBL12380890

SCHEMBL12380890

CCOCc1ccc(COC(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ AGXT P21549 2/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ APP P05067 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ P2RX7 Q99572 1/20 0.30

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
SCHEMBL648537 0.86 AGXT (0.39) TSHRAGXTESR1TRPV1APP
SCHEMBL133476 0.83 TSHR (0.48) TSHRKCNH2AGXTP2RX7
SCHEMBL19638101 0.79 AGXT (0.41) AGXTESR1
SCHEMBL21566734 0.79 NQO1 (0.56) TSHRAPPALDH1A1
SCHEMBL8251933 0.78 APP (0.50) TSHRKMT2AKCNH2APP
SCHEMBL10534245 0.78 APP (0.35) TSHRKMT2AESR1APP
SCHEMBL2452819 0.77 ESR1 (0.54) TSHRKMT2AESR1
SCHEMBL7935343 0.77 AGXT (0.54) TSHRKCNH2AGXTALDH1A1
SCHEMBL8750395 0.77 TP53 (0.43) TSHRKMT2AKCNH2ALDH1A1
SCHEMBL1337544 0.77 AGXT (0.43) TSHRKCNH2AGXTPPARA

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-8008329-B2 Method of treating or preventing osteoporosis comprising administering to a patient in need thereof an effective amount of pharmacuetical composition comprising benzamidine derivative or it's salt, and bisphosphonate DONG WHA PHARMACEUTICAL CO., LTD. (KR) 2011-08-30 — — US disclosed
US-20100029596-A1 METHOD OF TREATING OR PREVENTING OSTEOPOROSIS COMPRISING ADMINISTERING TO A PATIENT IN NEED THEREOF AN EFFECTIVE AMOUNT OF PHARMACUETICAL COMPOSITION COMPRISING BENZAMIDINE DERIVATIVE OR IT'S SALT, AND BISPHOSPHONATE Dong Wha Pharm, Co. Ltd. (KR) 2010-02-04 — — 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-20100029596-A1 METHOD OF TREATING OR PREVENTING OSTEOPOROSIS COMPRISING ADMINISTERING TO A PATIENT IN NEED THEREOF AN EFFECTIVE AMOUNT OF PHARMACUETICAL COMPOSITION COMPRISING BENZAMIDINE DERIVATIVE OR IT'S SALT, AND BISPHOSPHONATE SOST, BPGM, PTH1R TSHR 2123/4885KMT2A 2450/4885KCNH2 2181/4885

“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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