SCHEMBL21780864

SCHEMBL21780864

c1ccc(COc2ccc3c(c2)CCCO3)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.67
MAOA P21397 11/20 0.67
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
NFKB1 P19838 1/20 0.56
GRM5 P41594 1/20 0.56
RAB9A P51151 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HRH3 Q9Y5N1 3/20 0.51
KDM1A O60341 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CYP2D6 P10635 2/20 0.48
CTNNB1 P35222 1/20 0.48
WNT3A P56704 1/20 0.48

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
SCHEMBL30539326 1.00 MAOB (0.67) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL12469960 0.89 MAOB (0.67) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL13278263 0.82 MAOB (0.49) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL8034908 0.81 MAOB (0.69) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL21213879 0.80 MAOB (1.00) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL23709366 0.80 MAOB (0.62) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL12470264 0.79 MAOB (0.70) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL22451525 0.79 MAOB (0.85) MAOBMAOANPC1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL23538216 0.79 MAOB (0.60) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL12472442 0.79 HRH3 (0.72) MAOBMAOANPC1ALDH1A1HPGD

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-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-01-02 US disclosed
US-20220033398-A1 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2022-02-03 US disclosed
EP-3233828-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-03-04 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 (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-20220033398-A1 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF BRAF, RAF1, NRAS MAOB 1093/4885MAOA 1519/4885NPC1 2217/4885
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof BRAF, RAF1, NRAS MAOB 1093/4885MAOA 1519/4885NPC1 2217/4885

“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.