SCHEMBL18503202

SCHEMBL18503202

CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCOCCC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL18503174 0.91 HRH3 (0.33) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL18503245 0.87 LMNA (0.48) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL18512393 0.84 LMNA (0.40) LMNATSHR
SCHEMBL18512665 0.80 TSHR (0.43) MEN1CYP3A4KMT2ALMNATSHR
SCHEMBL9750949 0.79 TSHR (0.46) TSHR
SCHEMBL22268987 0.78 LMNA (0.31) LMNA
SCHEMBL18419061 0.78 LMNA (0.46) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL1426138 0.78 TSHR (0.46) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL22268676 0.77 LMNA (0.34) CYP3A4LMNATSHR
SCHEMBL20509870 0.76 LMNA (0.40) MEN1CYP3A4ALOX15KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207299-A1 PYRROLOPYRIMIDINE NUCLEOSIDES FOR TREATING OR PREVENTING A SARS-COV-2 INFECTION CHIMERIX, INC. (US) 2024-06-27 US disclosed
US-20170253628-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2017-09-07 US disclosed
US-9708359-B2 Pyrrolopyrimidine nucleosides and analogs thereof CHIMERIX, INC. (US) 2017-07-18 US disclosed
US-9701706-B2 Pyrrolopyrimidine nucleosides and analogs thereof CHIMERIX, INC. (US) 2017-07-11 US disclosed
US-20170137454-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2017-05-18 US disclosed
US-20170044202-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2017-02-16 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 (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-20170137454-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF TYMP, PNP, DPYD MEN1 3288/4885CYP3A4 1454/4885ALOX15 1482/4885
US-20170253628-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF TYMP, PNP, DPYD MEN1 3288/4885CYP3A4 1454/4885ALOX15 1482/4885
US-20170044202-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF TYMP, ITPA, IMPDH1 MEN1 3416/4885CYP3A4 1800/4885ALOX15 1701/4885
US-20240207299-A1 PYRROLOPYRIMIDINE NUCLEOSIDES FOR TREATING OR PREVENTING A SARS-COV-2 INFECTION PNP, ACE2, TYMP MEN1 4367/4885CYP3A4 733/4885ALOX15 1615/4885

“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.