SCHEMBL18655581

SCHEMBL18655581

CCCCCCCCOc1cccc(-c2cccc(C)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
SMPD1 P17405 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP19A1 P11511 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
PLA2G4B P0C869 2/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
LTA4H P09960 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
PTPN11 Q06124 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL18655582 1.00 TSHR (0.59) TSHRSMPD1CYP1A2CYP2C9CYP2C19
SCHEMBL17142884 0.92 TSHR (0.69) TSHRSMPD1CYP1A2CYP2C9CYP2C19
SCHEMBL17143201 0.92 TSHR (0.69) TSHRSMPD1CYP1A2CYP2C9CYP2C19
SCHEMBL2151432 0.92 TSHR (0.69) TSHRSMPD1CYP1A2CYP2C9CYP2C19
SCHEMBL25457757 0.90 TSHR (0.67) TSHRSMPD1CYP1A2CYP2C9CYP2C19
SCHEMBL22207294 0.90 TSHR (0.67) TSHRSMPD1CYP1A2CYP2C9CYP2C19
SCHEMBL22207087 0.90 TSHR (0.67) TSHRSMPD1CYP1A2CYP2C9CYP2C19
SCHEMBL22207378 0.90 TSHR (0.67) TSHRSMPD1CYP1A2CYP2C9CYP2C19
SCHEMBL22207278 0.90 TSHR (0.67) TSHRSMPD1CYP1A2CYP2C9CYP2C19
SCHEMBL22207311 0.90 TSHR (0.67) TSHRSMPD1CYP1A2CYP2C9CYP2C19

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-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 (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-20170084841-A1 FUSED BIS-ARYL FULLERENE DERIVATIVES OCIAD2, PPOX, OCIAD1 TSHR 4597/4885SMPD1 4875/4885CYP1A2 221/4885

“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.