SCHEMBL1100486

SCHEMBL1100486

C[N]C(C)(C)CC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL124301 0.77 TSHR (0.31) TSHRTDP1
SCHEMBL2749956 0.77 TSHR (0.31) TSHRTDP1
SCHEMBL124302 0.77 TSHR (0.31) TSHRTDP1
SCHEMBL5689546 0.72
SCHEMBL6832062 0.72
SCHEMBL10486705 0.72
SCHEMBL984815 0.69
SCHEMBL5678359 0.69 TSHR (0.33) TSHRTDP1
SCHEMBL506587 0.69
SCHEMBL255617 0.69

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-8178077-B2 Drug development target protein and target gene, and method of screening REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2012-05-15 US disclosed
US-8153385-B2 Target protein and target gene in drug designing and screening method REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2012-04-10 US disclosed
US-20100136524-A1 TARGET PROTEIN AND TARGET GENE IN DRUG DESIGNING AND SCREENING METHOD REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2010-06-03 US disclosed
US-20090233274-A1 DRUG DEVELOPMENT TARGET PROTEIN AND TARGET GENE, AND METHOD OF SCREENING REVERSE PROTEOMICS RESEARCH INSTITUTE CO. (JP) 2009-09-17 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-20090233274-A1 DRUG DEVELOPMENT TARGET PROTEIN AND TARGET GENE, AND METHOD OF SCREENING NCS1, PRSS12, TPX2 TSHR 3460/4885TDP1 2541/4885
US-20100136524-A1 TARGET PROTEIN AND TARGET GENE IN DRUG DESIGNING AND SCREENING METHOD CHP1, CMA1, CARHSP1 TSHR 4022/4885TDP1 3414/4885

“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.