SCHEMBL7130269

SCHEMBL7130269

CC(C)OC=Cc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 4/20 0.42
CYP2C9 P11712 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42

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
SCHEMBL419698 0.78 MAOB (0.44) CYP2C19KDM4EHPGDCYP2C9CYP3A4
SCHEMBL23134220 0.78 MAOB (0.44) CYP2C19KDM4EHPGDCYP2C9CYP3A4
SCHEMBL5026274 0.78 KDM4E (0.55) CYP2C19ALDH1A1KDM4EHPGDRAB9A
SCHEMBL7132075 0.76 TUBB4A (0.50) CYP2C19ALDH1A1KDM4EHPGDRAB9A
SCHEMBL9268881 0.76 TUBB4A (0.50) CYP2C19ALDH1A1KDM4EHPGDRAB9A
SCHEMBL8319087 0.75 CYP2C19 (0.45) CYP2C19ALDH1A1KDM4EHPGDRAB9A
SCHEMBL925959 0.73 KDM4E (0.61) ALDH1A1KDM4EHPGDMAPTCYP2C9
SCHEMBL7543934 0.73 RELA (0.58) ALDH1A1KDM4ERAB9AMAPTKMT2A
SCHEMBL9967764 0.71 MAPT (0.55) CYP2C19ALDH1A1KDM4EHPGDRAB9A
SCHEMBL1882464 0.71 ALDH1A1 (0.61) CYP2C19ALDH1A1KDM4EHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030078270-A1 Methods of providing and using compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2003-04-24 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-20030078270-A1 Methods of providing and using compounds having activity as inhibitors of cytochrome P450RAI CYP26B1, CYP21A2, ALDH1A2 CYP2C19 95/4885ALDH1A1 72/4885KDM4E 2750/4885

“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.