SCHEMBL3919336

SCHEMBL3919336

Oc1c(-c2ccccc2)cc2c(c1-c1cc(-c3ccccc3)cc3c1CCCC3)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PTPN1 P18031 1/20 0.42
DRD1 P21728 3/20 0.38
DRD2 P14416 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
BACE1 P56817 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
AGTR2 P50052 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL16772616 0.88 MEN1 (0.64) MEN1KMT2APTPN1MAOAMAOB
Phosphoric Acid SCHEMBL3931808 0.76 PTPN1 (0.36) MEN1KMT2APTPN1SMN1; SMN2BCL2L1
SCHEMBL30952395 0.73 ALDH1A1 (0.44) MEN1KMT2ABACE1BCL2L1BAD
SCHEMBL9875240 0.72 TSHR (0.42) MAOAMAOBBCL2L1BAD
SCHEMBL28179848 0.70 TSHR (0.44) MEN1KMT2ASMN1; SMN2BCL2L1BAD
SCHEMBL309670 0.70 PTPN1 (0.67) PTPN1BACE1CRHBPCRHR2BCL2L1
SCHEMBL4127678 0.70 MEN1 (0.56) MEN1KMT2AMAOAMAOBAGTR2
SCHEMBL9876421 0.69 CYP2A6 (0.41) MAOAMAOB
SCHEMBL21615685 0.69 PDE4B (0.45) MEN1KMT2ABACE1IKBKBPDE4B
SCHEMBL13868304 0.69 GPR84 (0.54) MEN1KMT2A

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
US-7517828-B2 Chiral broensted acid catalyst for asymmetric synthesis and method of asymmetric synthesis with the catalyst TOAGOSEI CO., LTD. (JP) 2009-04-14 US disclosed
US-20060276329-A1 Asymmetric synthesis catalyst based on chiral brsnsted acid and method of asymmetric synthesis with the catalyst TOAGOSEI CO., LTD. (JP) 2006-12-07 US disclosed
EP-1623971-A1 ASYMMETRIC-SYNTHESIS CATALYST BASED ON CHIRAL BROENSTED ACID AND METHOD OF ASYMMETRIC SYNTHESIS WITH THE CATALYST TOAGOSEI CO., LTD. (JP) 2006-02-08 EP 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-20060276329-A1 Asymmetric synthesis catalyst based on chiral brsnsted acid and method of asymmetric synthesis with the catalyst LSS, COASY, FASN MEN1 169/4885KMT2A 2039/4885PTPN1 4627/4885

“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.