SCHEMBL23801871

SCHEMBL23801871

C=CCC1CCc2c(c3ccccc3n2C(=O)O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
KCNH2 Q12809 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41
HTR3B O95264 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
HTR2B P41595 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
SLC47A2 Q86VL8 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SLC47A1 Q96FL8 1/20 0.41
HDAC1 Q13547 6/20 0.41

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
SCHEMBL30511843 0.84 HDAC1 (0.47) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL23801852 0.84 HDAC1 (0.47) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL23801859 0.76 CYP3A4 (0.38) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL5234561 0.69 KCNH2 (0.53) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL29004443 0.69 POLB (0.41) PADI4
SCHEMBL8903120 0.69 CYP19A1 (0.36) CYP1A2CYP2D6
SCHEMBL8387400 0.68 HDAC1 (0.58) HDAC1HDAC6
SCHEMBL23801864 0.68 TP53 (0.54) HDAC1HDAC6
SCHEMBL19679596 0.67 KCNH2 (0.63) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL3994326 0.66 KCNH2 (0.61) CYP3A4KCNH2CYP1A2CYP2D6HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708320-B2 Environmentally-friendly hydroazidation of olefins GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2023-07-25 US disclosed
US-20210284601-A1 ENVIRONMENTALLY-FRIENDLY HYDROAZIDATION OF OLEFINS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2021-09-16 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 (2 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-11708320-B2 Environmentally-friendly hydroazidation of olefins HAO2, AHR, HMOX1 CYP3A4 32/4885KCNH2 2551/4885CYP1A2 35/4885
US-20210284601-A1 ENVIRONMENTALLY-FRIENDLY HYDROAZIDATION OF OLEFINS HAO2, AHR, HMOX1 CYP3A4 32/4885KCNH2 2551/4885CYP1A2 35/4885

“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.