SCHEMBL3745453

SCHEMBL3745453

CCCCC(CC)COC(=O)CCSc1cc2c(cc1Br)OCCN2C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ CA2 P00918 1/20 0.36
▸ LMNA P02545 3/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RECQL P46063 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ THRB P10828 2/20 0.31
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ HTR4 Q13639 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
SCHEMBL3744758 0.97 TSHR (0.42) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL3746419 0.88 ALDH1A1 (0.42) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL3750763 0.87 TSHR (0.48) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL3746046 0.86 CYP3A4 (0.43) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL3518286 0.84 TSHR (0.45) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL14718639 0.84 TSHR (0.48) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL3516044 0.82 TSHR (0.45) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL3741046 0.78 TSHR (0.48) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL3743689 0.77 TSHR (0.52) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL3518950 0.76 CYP3A4 (0.46) TSHRCYP3A4TDP1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 — — US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 — — US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 — — US disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 — — WO 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-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR TSHR 4696/4885CYP3A4 3696/4885TDP1 1876/4885

“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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