SCHEMBL25081097

SCHEMBL25081097

CCn1ccc2cccc(C(C)C)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.49
HTR2C P28335 3/20 0.41
HTR2A P28223 2/20 0.41
KMT2A Q03164 1/20 0.39
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
HTR2B P41595 2/20 0.37
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
GABRA5 P31644 1/20 0.36

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
SCHEMBL18970239 0.76 GABRA1 (0.43) CYP19A1HTR2CHTR2AGABRA1HTR2B
SCHEMBL2737365 0.76 GABRA1 (0.40) HTR2CHTR2AGABRA1GABRG2GABRB3
SCHEMBL11081014 0.76 ADRA2A (0.50) CYP19A1HTR2CHTR2ACYP1A2SLC6A2
SCHEMBL6030394 0.74 CYP19A1 (0.45) CYP19A1HTR2CHTR2ASLC6A2
SCHEMBL12383523 0.74 CYP19A1 (0.45) CYP19A1HTR2CHTR2ASLC6A2
SCHEMBL24130695 0.74 CYP19A1 (0.39) CYP19A1HTR2CHTR2AKMT2AHTR2B
SCHEMBL14473516 0.74 ADRA2A (0.49) CYP19A1HTR2CHTR2ACYP1A2SLC6A2
SCHEMBL23685783 0.74 GABRA1 (0.39) HTR2CHTR2AGABRA1GABRG2GABRB3
SCHEMBL15676807 0.74 BACE1 (0.48) CYP19A1HTR2CHTR2AGABRA1HPGD
SCHEMBL27010803 0.74 HTR2A (0.39) HTR2CHTR2AGABRA1GABRG2GABRB3

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-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
WO-2023020519-A1 1, 4-OXAZEPANE DERIVATIVES AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-23 WO 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-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS CYP19A1 3271/4885HTR2C 4544/4885HTR2A 4827/4885

“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.