SCHEMBL18329328

SCHEMBL18329328

COC(=O)CCCC(S)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 3/20 0.44
KMT2A Q03164 1/20 0.43
KCNA5 P22460 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
PPARG P37231 1/20 0.41
AKT1 P31749 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL28272697 0.90 CA12 (0.48) CA12CA7CA9CA14LMNA
SCHEMBL3068269 0.83 KCNA5 (0.50) CA12CA7CA9CA14TSHR
SCHEMBL13064827 0.82 CA12 (0.50) CA12CA7CA9CA14LMNA
SCHEMBL27944397 0.81 HDAC3 (0.47) TSHRALDH1A1SMN1; SMN2
SCHEMBL318685 0.81 CA12 (0.46) CA12CA7CA9CA14LMNA
SCHEMBL16728552 0.81 CA12 (0.46) CA12CA7CA9CA14LMNA
SCHEMBL27764678 0.81 CA12 (0.46) CA12CA7CA9CA14LMNA
SCHEMBL28556129 0.80 LMNA (0.51) CA12CA7CA9CA14LMNA
SCHEMBL11375764 0.79 PPARG (0.54) CA12CA7CA9CA14LMNA
SCHEMBL30096673 0.78 CA12 (0.44) CA12CA7CA9CA14LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3219701-B1 ISOMER-SELECTIVE SYNTHESIS OF METHANOFULLERENES NANO C INC (US) 2023-09-06 EP disclosed
CN-107200688-B Selective synthesis of isomers of methanofullerenes 纳米碳股份有限公司 2022-12-02 CN disclosed
US-10081591-B2 Isomer selective synthesis of methanofullerenes NANO-C, INC. (US) 2018-09-25 US disclosed
US-20170267628-A1 ISOMER-SELECTIVE SYNTHESIS OF METHANOFULLERENES NANO-C, INC. 2017-09-21 US disclosed
EP-3219701-A1 ISOMER-SELECTIVE SYNTHESIS OF METHANOFULLERENES Nano-C, Inc. (US) 2017-09-20 EP disclosed
US-9527797-B1 Isomer-selective synthesis of methanofullerenes NANO-C, INC. (US) 2016-12-27 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-10081591-B2 Isomer selective synthesis of methanofullerenes GABRB1, GABRB3, GABRB2 CA12 2775/4885CA7 1389/4885CA9 2389/4885
US-20170267628-A1 ISOMER-SELECTIVE SYNTHESIS OF METHANOFULLERENES GABRB1, GABRB3, GABRB2 CA12 2705/4885CA7 1306/4885CA9 2308/4885

“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.