SCHEMBL6276483

SCHEMBL6276483

C=[C]c1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
CYP1A2 P05177 1/20 0.52
PDGFRB P09619 3/20 0.46
PDGFRA P16234 3/20 0.46
MGAM O43451 1/20 0.46
EGFR P00533 1/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
CYP2A6 P11509 1/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ACHE P22303 1/20 0.43
BIRC5 O15392 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GPR3 P46089 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ACACB O00763 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
SCHEMBL28026429 0.83 ALDH1A1 (0.53) ALDH1A1CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL4818276 0.81 ALDH1A1 (0.63) ALDH1A1CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL444107 0.80 ALDH1A1 (0.62) ALDH1A1CYP1A2PDGFRBPDGFRAMGAM
Water SCHEMBL27871202 0.80 ALDH1A1 (0.57) ALDH1A1CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL444106 0.80 ALDH1A1 (0.57) ALDH1A1CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL29788946 0.80 ALDH1A1 (0.57) ALDH1A1CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL3084485 0.80 ALDH1A1 (0.57) ALDH1A1CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL63442 0.80 ALDH1A1 (0.57) ALDH1A1CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL232457 0.80 ALDH1A1 (0.57) ALDH1A1CYP1A2PDGFRBPDGFRAMGAM
Methane SCHEMBL28479303 0.78 ALDH1A1 (0.56) ALDH1A1CYP1A2PDGFRBPDGFRAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005121160-A2 11, 12 CYCLIC THIOCARBAMATE MACROLIDE ANTIBACTERIAL AGENTS JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT (US) 2005-12-22 WO disclosed
US-20050250713-A1 11,12-Cyclic thiocarbamate macrolide antibacterial agents ZHU BIN 2005-11-10 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-20050250713-A1 11,12-Cyclic thiocarbamate macrolide antibacterial agents MRPL21, TTC14, MRPL12 ALDH1A1 4517/4885CYP1A2 3457/4885PDGFRB 3649/4885

“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.