SCHEMBL20955867

SCHEMBL20955867

O=C(O)[C@]1(C/C=C/C=C/c2ccccc2)CCCOC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
RAB9A P51151 5/20 0.35
MAPT P10636 4/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL20955868 1.00 ALDH1A1 (0.35) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL20955878 0.91 PAM (0.40) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL20955880 0.91 PAM (0.40) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL20955879 0.91 PAM (0.40) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL20980102 0.86 SMN1; SMN2 (0.38) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL20955914 0.81 KMT2A (0.36) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL20955883 0.81 GRIK1 (0.36) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL20955865 0.81 GRIK1 (0.36) ALDH1A1RAB9AMAPTNPC1KMT2A
SCHEMBL20955912 0.81 KMT2A (0.36) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL20955866 0.81 GRIK1 (0.36) ALDH1A1RAB9AMAPTNPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3480190-B1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS CALIFORNIA INST OF TECHN (US) 2023-01-04 EP disclosed
US-10745354-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-08-18 US disclosed
US-20200048201-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-02-13 US disclosed
US-10358422-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-07-23 US disclosed
US-20190135754-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS CALIFORNIA INSTITUTE OF TECHNOLOGY 2019-05-09 US disclosed
EP-3480190-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS California Institute of Technology (US) 2019-05-08 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 (4 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-20200048201-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS LSS, COASY, ADH1A ALDH1A1 265/4885RAB9A 1880/4885MAPT 4392/4885
US-20190135754-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS LSS, COASY, ADH1A ALDH1A1 265/4885RAB9A 1880/4885MAPT 4392/4885
US-10745354-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols LSS, COASY, ADH1A ALDH1A1 265/4885RAB9A 1880/4885MAPT 4392/4885
US-10358422-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols LSS, COASY, ADH1A ALDH1A1 265/4885RAB9A 1880/4885MAPT 4392/4885

“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.