SCHEMBL10198246

SCHEMBL10198246

CC1(C(=O)NOC2CCCCO2)CCc2ccc(Oc3ccc(Cl)cc3)cc2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
MMP1 P03956 7/20 0.35
MMP13 P45452 7/20 0.35
MMP9 P14780 3/20 0.35
MMP2 P08253 2/20 0.35
MMP3 P08254 2/20 0.35
MMP7 P09237 2/20 0.35
MMP8 P22894 2/20 0.35
MMP14 P50281 2/20 0.35
HSD11B1 P28845 1/20 0.35
BACE1 P56817 1/20 0.34
ADAM17 P78536 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
ABCB11 O95342 1/20 0.33
MMP10 P09238 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
GHSR Q92847 1/20 0.33
ICAM1 P05362 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
SCHEMBL345897 0.78 MMP1 (0.49) MMP1MMP13MMP9MMP2MMP3
SCHEMBL345064 0.75 SMN1; SMN2 (0.42) MMP1MMP13MMP9MMP2MMP3
SCHEMBL346119 0.75 RXRA (0.42) MMP1MMP13MMP9ADAM17ADRB1
SCHEMBL346293 0.69 RAF1 (0.46)
SCHEMBL346771 0.68 RAF1 (0.43)
SCHEMBL26638027 0.67 LMNA (0.44) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL26638030 0.67 LMNA (0.44) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL10247034 0.66 SMYD3 (0.53) P2RX3
SCHEMBL29586899 0.65 MAOB (0.43)
SCHEMBL23839848 0.64 MMP14 (0.67) MMP1MMP13MMP9MMP2MMP3

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
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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 (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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 P2RX3 3711/4885HRH3 48/4885MMP1 137/4885

“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.