SCHEMBL3301632

SCHEMBL3301632

[CH2]COC(C)(C)CCCCC

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
SMPD1 P17405 3/20 0.31
FDPS P14324 10/20 0.31
GGPS1 O95749 7/20 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
SCHEMBL3315723 0.82
SCHEMBL10936155 0.80 TSHR (0.35) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL15373224 0.78 TSHR (0.40) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL21472951 0.78 TSHR (0.40) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL12506225 0.78 TSHR (0.33) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL13825811 0.78 ADRB2 (0.36) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL22903055 0.78 TSHR (0.40) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL22903085 0.78 TSHR (0.40) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL28312159 0.78 TSHR (0.40) TSHRTHRBSMPD1FDPSGGPS1
SCHEMBL20067922 0.78 TSHR (0.40) TSHRTHRBSMPD1FDPSGGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160242416-A1 FUNGICIDAL ISOXAZOLINE CARBINOLS DU PONT (US) 2016-08-25 US disclosed
US-7741393-B2 Organic silicon-based compound and method of producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-22 US disclosed
US-20070203275-A1 Organic Silicon-Based Compound And Method Of Producing The Same SUMITOMO CHEMICAL COMPANY, LIMITED 2007-08-30 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-20070203275-A1 Organic Silicon-Based Compound And Method Of Producing The Same ARSA, OR10J3, HDAC10 TSHR 4414/4885THRB 3404/4885SMPD1 1925/4885
US-20160242416-A1 FUNGICIDAL ISOXAZOLINE CARBINOLS CYP1B1, CHRM1, CYP1A1 TSHR 3040/4885THRB 2499/4885SMPD1 2554/4885

“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.