SCHEMBL29423697

SCHEMBL29423697

COC(=O)C1C[C@@]2(CCc3ccccc3C2)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCN1 O60741 1/20 0.36
HCN4 Q9Y3Q4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
HTR1A P08908 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ATM Q13315 1/20 0.33
LIPE Q05469 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33
HSD11B1 P28845 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
SCHEMBL22709889 1.00 HCN1 (0.36) HCN1HCN4ALDH1A1SIGMAR1PSEN1
SCHEMBL29423684 0.88 HTR1A (0.35) HCN1HCN4SIGMAR1HTR1ASMN1; SMN2
SCHEMBL22692100 0.83 SIGMAR1 (0.40) ALDH1A1SIGMAR1ATMHTR2AHTR2C
SCHEMBL23385946 0.82 CYP1A2 (0.36) ALDH1A1HTR1ASMN1; SMN2ATMHTR2A
SCHEMBL29656734 0.82 CYP1A2 (0.36) ALDH1A1HTR1ASMN1; SMN2ATMHTR2A
SCHEMBL30015560 0.78 CYP1A2 (0.34) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL24483075 0.78 HTR2A (0.41) SIGMAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL31756478 0.74 KDM4E (0.33) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL22692006 0.74 SIGMAR1 (0.40) ALDH1A1SIGMAR1ATMHTR2AHTR2C
SCHEMBL24483739 0.73 KDM1A (0.41) SIGMAR1HTR2AHTR2CHRH1HTR2B

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-20220227738-A1 KRAS G12C INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-07-21 US disclosed
WO-2022115439-A1 KRAS G12C INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-06-02 WO disclosed
EP-3972978-A1 KRAS G12C INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-03-30 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-20220227738-A1 KRAS G12C INHIBITORS AND USES THEREOF KRAS, NRAS, HRAS HCN1 4075/4885HCN4 4532/4885ALDH1A1 2497/4885

“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.