SCHEMBL21784145

SCHEMBL21784145

CCC(C)(C)c1noc(C(C)(C)C)n1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL15483338 0.89 PIK3CG (0.30) PIK3CG
SCHEMBL15483340 0.86
SCHEMBL21784191 0.84 PIK3CG (0.32) PIK3CG
SCHEMBL15483312 0.83 PIK3CG (0.38) PIK3CG
SCHEMBL15691300 0.82
SCHEMBL22545665 0.82
SCHEMBL78067 0.80 PIK3CG (0.43) PIK3CGKDM4EALDH1A1LMNAHPGD
SCHEMBL21784158 0.76
SCHEMBL20464256 0.74 PIK3CG (0.33) PIK3CGKDM4EALDH1A1LMNAHPGD
SCHEMBL12251571 0.74 PIK3CG (0.33) PIK3CGKDM4EALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163485-A1 Heterocyclic Compounds for the Treatment of Disease OPPILAN PHARMA LTD (GB) 2021-06-03 US disclosed
US-20200325135-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE OPPILAN PHARMA LTD (GB) 2020-10-15 US disclosed
US-20200109135-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-09 US disclosed
US-20200071327-A1 Prodrugs for the Treatment of Disease OPPILAN PHARMA LTD (GB) 2020-03-05 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 (4 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-20200325135-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, FH, TPMT PIK3CG 4011/4885KDM4E 3643/4885ALDH1A1 562/4885
US-20200109135-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 PIK3CG 2991/4885KDM4E 3111/4885ALDH1A1 2289/4885
US-20210163485-A1 Heterocyclic Compounds for the Treatment of Disease VHL, FH, TPMT PIK3CG 3915/4885KDM4E 3499/4885ALDH1A1 545/4885
US-20200071327-A1 Prodrugs for the Treatment of Disease DPYD, PAICS, TYMP PIK3CG 1828/4885KDM4E 2875/4885ALDH1A1 322/4885

“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.