SCHEMBL3213488

SCHEMBL3213488

[CH2]Cc1ccc(O)cc1Oc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.58
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
HPGD P15428 1/20 0.51
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 1/20 0.46
PPARG P37231 5/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
FFAR1 O14842 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL3212927 0.91 RAB9A (0.56) RAB9ACYP1A2CYP3A4CYP2C19HPGD
SCHEMBL4601009 0.83 SMN1; SMN2 (0.54) RAB9ACYP1A2CYP3A4CYP2C19HPGD
SCHEMBL8635319 0.82 RAB9A (0.66) RAB9ACYP1A2CYP3A4CYP2C19HPGD
SCHEMBL3205492 0.82 PPARG (0.51) CYP1A2CYP3A4CYP2C19HPGDLMNA
SCHEMBL3219568 0.81 PPARG (0.62) CYP1A2CYP3A4CYP2C19HPGDLMNA
SCHEMBL3204740 0.80 PPARG (0.53) RAB9ALMNASMN1; SMN2PPARG
SCHEMBL3220986 0.79 RAB9A (0.58) RAB9ACYP1A2CYP3A4CYP2C19HPGD
SCHEMBL5687596 0.77 RAB9A (0.73) RAB9ACYP1A2CYP3A4CYP2C19HPGD
SCHEMBL31251923 0.77 RAB9A (0.73) RAB9ACYP1A2CYP3A4CYP2C19HPGD
SCHEMBL3751730 0.77 CYP1A2 (0.56) RAB9ACYP1A2CYP3A4CYP2C19HPGD

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-20100041892-A1 Therapeutic agent for diabetes ABE HIDENORI 2010-02-18 US disclosed
US-20090270631-A1 Therapeutic agent for diabetes ABE HIDENORI 2009-10-29 US disclosed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 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 (3 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-20090270631-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 RAB9A 3599/4885CYP1A2 2418/4885CYP3A4 3701/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 RAB9A 3729/4885CYP1A2 1645/4885CYP3A4 3275/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 RAB9A 3599/4885CYP1A2 2418/4885CYP3A4 3701/4885

“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.