SCHEMBL4868610

SCHEMBL4868610

CCOC(=O)CCCSc1ccccc1C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.58
▸ POLB P06746 2/20 0.58
▸ ALDH1A1 P00352 5/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ KMT2A Q03164 1/20 0.47
▸ PKM P14618 1/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CYP3A4 P08684 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
SCHEMBL7471148 0.89 HSD17B10 (0.68) HSD17B10POLBALDH1A1KMT2APKM
SCHEMBL17045909 0.84 HSD17B10 (0.65) HSD17B10POLBALDH1A1KMT2APKM
SCHEMBL10382679 0.83 TSHR (0.57) HSD17B10POLBALDH1A1KDM4EKMT2A
SCHEMBL8158427 0.81 HSD17B10 (0.49) HSD17B10POLBALDH1A1KDM4EKMT2A
SCHEMBL7776841 0.80 HSD17B10 (0.72) HSD17B10POLBALDH1A1KDM4EKMT2A
SCHEMBL3079300 0.80 HSD17B10 (0.68) HSD17B10POLBALDH1A1KDM4EKMT2A
SCHEMBL10144072 0.80 HSD17B10 (0.67) HSD17B10POLBALDH1A1KDM4EKMT2A
SCHEMBL24878844 0.80 HSD17B10 (0.46) HSD17B10POLBALDH1A1KDM4EKMT2A
SCHEMBL7246626 0.77 PTGDR2 (0.46) POLBALDH1A1KDM4EKMT2APTGDR2
SCHEMBL9038340 0.77 TSHR (0.56) HSD17B10POLBALDH1A1KDM4ETSHR

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-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 — — US disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 — — 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-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives DPYD, TYMS, UMPS HSD17B10 1213/4885POLB 382/4885ALDH1A1 411/4885

“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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