SCHEMBL26326652

SCHEMBL26326652

CCCCC(C)(O)CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
CETP P11597 1/20 0.42
HPGD P15428 1/20 0.41
KCNH2 Q12809 1/20 0.41
HDAC3 O15379 1/20 0.41
TNNC1 P63316 5/20 0.40
SGPL1 O95470 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
GPR183 P32249 1/20 0.40
CERS2 Q96G23 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
POLB P06746 1/20 0.40
DRD2 P14416 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
FDPS P14324 1/20 0.39

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
SCHEMBL17493639 0.95 SIGMAR1 (0.47) SIGMAR1CETPHPGDKCNH2TNNC1
SCHEMBL17493636 0.93 CETP (0.47) SIGMAR1CETPHPGDKCNH2TNNC1
SCHEMBL19725599 0.93 CETP (0.47) SIGMAR1CETPHPGDKCNH2TNNC1
SCHEMBL9545400 0.85 POLB (0.44) SIGMAR1KCNH2HDAC3POLBOPRM1
SCHEMBL31427515 0.83 SLC6A2 (0.45) SIGMAR1FDPS
SCHEMBL114480 0.82 TDP1 (0.43) HPGDPOLBFDPS
SCHEMBL28333254 0.81 SIGMAR1 (0.47) SIGMAR1CETPHPGDKCNH2HDAC3
SCHEMBL7376369 0.81 SIGMAR1 (0.41) SIGMAR1CETPHPGDKCNH2HDAC3
SCHEMBL27782631 0.79 POLB (0.45) SIGMAR1KCNH2HDAC3POLBOPRM1
SCHEMBL27664603 0.79 TDP1 (0.50) HPGDPOLBFDPS

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-20230271988-A1 METHOD FOR PRODUCING ORGANOMETALLIC NUCLEOPHILE AND REACTION METHOD USING ORGANOMETALLIC NUCLEOPHILE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2023-08-31 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-20230271988-A1 METHOD FOR PRODUCING ORGANOMETALLIC NUCLEOPHILE AND REACTION METHOD USING ORGANOMETALLIC NUCLEOPHILE HPD, TALDO1, OGG1 SIGMAR1 3254/4885CETP 4070/4885HPGD 166/4885

“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.