SCHEMBL2117968

SCHEMBL2117968

CC(C)N(Cc1nc(O)cc(O)n1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GSR P00390 1/20 0.33
GPR84 Q9NQS5 1/20 0.30
TSHR P16473 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
SCHEMBL2117677 0.76 ALDH1A1 (0.44) GSRTSHR
SCHEMBL1222116 0.71 KDM4E (0.39) GPR84TSHR
SCHEMBL20340696 0.69 KDM4E (0.53) TSHR
SCHEMBL27886114 0.68 THRA (0.38) HDAC1HDAC8HDAC6GPR84
SCHEMBL10004688 0.67 GPR84 (0.34) GPR84TSHR
SCHEMBL2483550 0.65 HDAC1 (0.55) HDAC1HDAC8HDAC6
SCHEMBL26267232 0.64 HDAC1 (0.59) HDAC1HDAC8HDAC6TSHR
SCHEMBL3110988 0.64 ACHE (0.33)
SCHEMBL2116081 0.64 MMP1 (0.47) HDAC1TSHR
SCHEMBL10429473 0.64 GPR84 (0.39) GPR84

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-8158787-B2 Process for producing trichloropyrimidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-17 US disclosed
US-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2128141-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2009-12-02 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 (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-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND DPYD, TYMP, TST HDAC1 4428/4885HDAC8 4285/4885HDAC6 4647/4885

“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.