SCHEMBL18093608

SCHEMBL18093608

C=CCC1(CC)CCCN(C(=O)c2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
BLM P54132 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
RIPK1 Q13546 1/20 0.36
HPGD P15428 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
AVPR2 P30518 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL14377656 1.00 ALDH1A1 (0.39) ALDH1A1BLMKMT2AMEN1POLB
SCHEMBL15307694 0.91 ALDH1A1 (0.38) ALDH1A1BLMKMT2AMEN1POLB
SCHEMBL14377658 0.88 RIPK1 (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2RIPK1
SCHEMBL17837283 0.85 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL14377695 0.84 SMN1; SMN2 (0.37) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL21133771 0.84 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL14376956 0.83 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL14377664 0.83 ALDH1A1 (0.43) ALDH1A1BLMKMT2AMEN1POLB
SCHEMBL18093599 0.83 ALDH1A1 (0.43) ALDH1A1BLMKMT2AMEN1POLB
SCHEMBL17858904 0.83 NPC1L1 (0.38) AVPR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3274342-B1 ASYMMETRIC CATALYTIC DECARBOXYLATIVE ALKYL ALKYLATION USING LOW CATALYST CONCENTRATIONS AND A ROBUST PRECATALYST CALIFORNIA INST OF TECHN (US) 2022-05-04 EP disclosed
US-20190055182-A1 ASYMMETRIC CATALYTIC DECARBOXYLATIVE ALKYL ALKYLATION USING LOW CATALYST CONCENTRATIONS AND A ROBUST PRECATALYST CALIFORNIA INSTITUTE OF TECHNOLOGY 2019-02-21 US disclosed
US-10106479-B2 Asymmetric catalytic decarboxylative alkyl alkylation using low catalyst concentrations and a robust precatalyst CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-10-23 US disclosed
US-20160280623-A1 ASYMMETRIC CATALYTIC DECARBOXYLATIVE ALKYL ALKYLATION USING LOW CATALYST CONCENTRATIONS AND A ROBUST PRECATALYST CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-09-29 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 (3 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-20160280623-A1 ASYMMETRIC CATALYTIC DECARBOXYLATIVE ALKYL ALKYLATION USING LOW CATALYST CONCENTRATIONS AND A ROBUST PRECATALYST IDH3B, IDH3A, CYP51A1 ALDH1A1 221/4885BLM 865/4885KMT2A 271/4885
US-10106479-B2 Asymmetric catalytic decarboxylative alkyl alkylation using low catalyst concentrations and a robust precatalyst IDH3B, IDH3A, CYP51A1 ALDH1A1 221/4885BLM 865/4885KMT2A 271/4885
US-20190055182-A1 ASYMMETRIC CATALYTIC DECARBOXYLATIVE ALKYL ALKYLATION USING LOW CATALYST CONCENTRATIONS AND A ROBUST PRECATALYST IDH3B, IDH3A, CYP51A1 ALDH1A1 221/4885BLM 865/4885KMT2A 271/4885

“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.