SCHEMBL18632545

SCHEMBL18632545

CCCCC(CC)COc1cccc(-c2cccc(OCC(CC)CCCC)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
CA2 P00918 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
HIF1A Q16665 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL17138127 0.92 CYP3A4 (0.49) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL5147059 0.88 ALDH1A1 (0.46) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL12565554 0.86 ALOX5 (0.47) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL5145683 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL30718027 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL30718028 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL5147063 0.85 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL5145686 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL15881143 0.85 TSHR (0.59) ALDH1A1CYP3A4CA2LMNATSHR
Ethylene SCHEMBL27903282 0.85 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2CYP1A2CYP2C19

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
EP-3126317-B1 FUSED BIS-ARYL FULLERENE DERIVATIVES RAYNERGY TEK INC (TW) 2020-11-25 EP disclosed
US-10388879-B2 Fused bis-aryl fullerene derivatives NANO-C, INC. (US) 2019-08-20 US disclosed
US-20170084841-A1 FUSED BIS-ARYL FULLERENE DERIVATIVES NANO-C, INC. 2017-03-23 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-10388879-B2 Fused bis-aryl fullerene derivatives OCIAD2, PPOX, OCIAD1 ALDH1A1 2611/4885CYP3A4 78/4885CA2 4370/4885
US-20170084841-A1 FUSED BIS-ARYL FULLERENE DERIVATIVES OCIAD2, PPOX, OCIAD1 ALDH1A1 2611/4885CYP3A4 78/4885CA2 4370/4885

“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.