SCHEMBL346280

SCHEMBL346280

COc1cc2c(cc1F)CCC(C(=O)O)C2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
DRD5 P21918 6/20 0.40
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
PIN1 Q13526 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
KDM4C Q9H3R0 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5889376 1.00 CYP1A2 (0.49) CYP1A2DRD5LMNARAB9AKMT2A
SCHEMBL5889344 1.00 CYP1A2 (0.49) CYP1A2DRD5LMNARAB9AKMT2A
SCHEMBL5889377 1.00 CYP1A2 (0.49) CYP1A2DRD5LMNARAB9AKMT2A
SCHEMBL8071191 0.87 KMT2A (0.41) CYP1A2DRD5LMNARAB9AKMT2A
SCHEMBL5889366 0.87 KMT2A (0.41) CYP1A2DRD5LMNARAB9AKMT2A
SCHEMBL345477 0.87 KMT2A (0.41) CYP1A2DRD5LMNARAB9AKMT2A
SCHEMBL7453720 0.80 PDE4B (0.54)
SCHEMBL346415 0.79 MAPT (0.42) CYP1A2DRD5ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7452640 0.79 PDE4B (0.53)
SCHEMBL7220847 0.78 ALDH1A1 (0.48) CYP1A2KMT2AMAPK1ALDH1A1KDM4E

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-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
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
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 (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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 CYP1A2 1488/4885DRD5 2652/4885LMNA 1395/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 CYP1A2 602/4885DRD5 1524/4885LMNA 2133/4885

“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.