SCHEMBL15698317

SCHEMBL15698317

CC(C)C[n+]1cccc(C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 4/20 0.34
KMT2A Q03164 1/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 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
SCHEMBL18810763 0.85 KMT2A (0.33) GGPS1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL5286663 0.82 APOBEC3A (0.36) KMT2AAPOBEC3AAPOBEC3G
SCHEMBL5328558 0.78 HTT (0.39)
SCHEMBL14227952 0.78 GGPS1 (0.57) GGPS1KMT2A
SCHEMBL4235579 0.78 GGPS1 (0.53) GGPS1KMT2A
Bromide SCHEMBL31207551 0.76 GGPS1 (0.51) GGPS1KMT2A
Hydrochloric Acid SCHEMBL31207622 0.76 GGPS1 (0.51) GGPS1KMT2A
Bromide SCHEMBL15941512 0.76 GGPS1 (0.51) GGPS1KMT2A
SCHEMBL18609645 0.76 KDM4E (0.53) GGPS1
SCHEMBL5304636 0.76 HTT (0.47)

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-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-9242999-B2 Cephem compound having pyridinium group SHIONOGI & CO., LTD. (JP) 2016-01-26 US disclosed
US-20140114060-A1 CEPHEM COMPOUND HAVING PYRIDINIUM GROUP SHIONOGI & CO., LTD. (JP) 2014-04-24 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-20140114060-A1 CEPHEM COMPOUND HAVING PYRIDINIUM GROUP CEP170, PEPD, CMBL GGPS1 671/4885KMT2A 1917/4885APOBEC3A 3868/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 GGPS1 2757/4885KMT2A 445/4885APOBEC3A 219/4885

“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.