SCHEMBL3829659

SCHEMBL3829659

CCOC(=O)c1cccc2c1oc1c(C(=O)OCC)ccc(-c3ccccc3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.48
▸ CDC25B P30305 3/20 0.46
▸ PGR P06401 1/20 0.44
▸ CCR6 P51684 1/20 0.44
▸ MAPT P10636 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CDC25A P30304 1/20 0.43
▸ CDC25C P30307 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL13990442 0.82 DHODH (0.48) CDC25BMAPTALDH1A1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL10694179 0.78 ALDH1A1 (0.57) TSHRCDC25BCCR6MAPTALDH1A1
SCHEMBL8874138 0.76 CYSLTR1 (0.59) TSHRMAPTALDH1A1ALOX15CYP1A2
SCHEMBL8878647 0.76 ALDH1A1 (0.69) TSHRMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL8875513 0.75 CYP1A2 (0.49) TSHRCDC25BCCR6MAPTALDH1A1
SCHEMBL21343984 0.74 KDM4E (0.49) TSHRCDC25BMAPTALDH1A1HSD17B10
SCHEMBL8875460 0.74 ALDH1A1 (0.67) TSHRMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL396552 0.74 TSHR (0.69) TSHRMAPTALDH1A1ALOX15CYP1A2
SCHEMBL11329873 0.73 TSHR (0.54) TSHRCDC25BMAPTALDH1A1CYP1A2
SCHEMBL23689805 0.73 TSHR (0.62) TSHRCDC25BMAPTALDH1A1ALOX15

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
EP-1755585-A4 TRANSTHYRETIN STABILIZATION SCRIPPS RESEARCH INST (US) 2009-04-01 — — EP disclosed
US-20080319175-A1 Transthyretin Stabilization THE SCRIPPS RESEARCH INSTITUTE (US) 2008-12-25 — — US disclosed
EP-1755585-A1 TRANSTHYRETIN STABILIZATION The Scripps Research Institute (US) 2007-02-28 — — EP disclosed
WO-2005112913-A1 TRANSTHYRETIN STABILIZATION THE SCRIPPS RESEARCH INSTITUTE (US) 2005-12-01 — — WO disclosed
US-20050261365-A1 Transthyretin stabilization THE SCRIPPS RESEARCH INSTITUTE (US) 2005-11-24 — — 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 (2 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-20050261365-A1 Transthyretin stabilization TTR, TTPA, ALB TSHR 1379/4885CDC25B 3167/4885PGR 4307/4885
US-20080319175-A1 Transthyretin Stabilization TTR, TTPA, ALB TSHR 1379/4885CDC25B 3167/4885PGR 4307/4885

“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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