SCHEMBL19991844

SCHEMBL19991844

CCCCCC[C@@]1(C)N[C@H](c2ccccc2)COC1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.39
MMP9 P14780 6/20 0.39
MMP3 P08254 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
MMP8 P22894 3/20 0.39
MMP13 P45452 3/20 0.39
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 2/20 0.34
SLC10A2 Q12908 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
GRM2 Q14416 2/20 0.33
CYP19A1 P11511 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
SCHEMBL18109314 0.99 MMP2 (0.37) MMP2MMP9MMP3MEN1KMT2A
SCHEMBL18109699 0.95 SLC10A2 (0.38) MMP2MMP9MMP3MEN1KMT2A
SCHEMBL19940946 0.90 KDM1A (0.37) MEN1KMT2ASMN1; SMN2LMNASLC10A2
SCHEMBL485258 0.84 LMNA (0.38) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4337211 0.81 LMNA (0.33) MEN1KMT2ALMNA
SCHEMBL4330497 0.81 CYP19A1 (0.33) SMN1; SMN2LMNACYP19A1
SCHEMBL5807914 0.81 CYP19A1 (0.33) SMN1; SMN2LMNACYP19A1
SCHEMBL25193093 0.79 SLC10A2 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2HIF1A
SCHEMBL4336144 0.79 LMNA (0.34) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4339935 0.78 TDP1 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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
EP-3507288-B1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE DERIVATIES AS TOLL LIKE RECEPTOR MODULATORS GILEAD SCIENCES INC (US) 2020-08-26 EP disclosed
US-10640499-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2020-05-05 US disclosed
US-20180086755-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2018-03-29 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-10640499-B2 Toll like receptor modulator compounds TLR8, TLR3, TLR6 MMP2 2544/4885MMP9 1457/4885MMP3 2082/4885
US-20180086755-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 MMP2 2680/4885MMP9 1635/4885MMP3 2172/4885

“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.