SCHEMBL21186441

SCHEMBL21186441

CCCCS(C)(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.46
▸ PSIP1 O75475 1/20 0.43
▸ PCSK9 Q8NBP7 1/20 0.41
▸ PTGS2 P35354 5/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ABCB1 P08183 2/20 0.38
▸ LTA4H P09960 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL24433157 0.88 CA2 (0.38) TDP1PTGS2ALDH1A1TSHRSMN1; SMN2
SCHEMBL21186462 0.86 PSIP1 (0.46) TDP1PSIP1PCSK9PTGS2SMN1; SMN2
SCHEMBL21712439 0.79 TDP1 (0.47) TDP1PSIP1PCSK9PTGS2ALDH1A1
SCHEMBL2839087 0.79 TDP1 (0.47) TDP1PSIP1PCSK9PTGS2ALDH1A1
SCHEMBL22041066 0.77 SIGMAR1 (0.44) TDP1PSIP1LTA4H
SCHEMBL22041446 0.77 HTR2A (0.46) TDP1
SCHEMBL21191483 0.76 TDP1 (0.44) TDP1PSIP1PCSK9PTGS2ALDH1A1
SCHEMBL777886 0.76 PSIP1 (0.64) TDP1PSIP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL19561677 0.75 PSIP1 (0.56) TDP1PSIP1PTGS2ALDH1A1TSHR
SCHEMBL22916153 0.74 GAA (0.40) TDP1ALDH1A1TSHRABCB1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190225629-A1 METHOD FOR PREPARING SILAHYDROCARBONS UNIVERSITY OF DELAWARE (US) 2019-07-25 — — 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-20190225629-A1 METHOD FOR PREPARING SILAHYDROCARBONS MCM6, CCNY, RIOX2 TDP1 3660/4885PSIP1 3560/4885PCSK9 3822/4885

“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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