SCHEMBL2223002

SCHEMBL2223002

[CH2]c1ccccc1Cc1ccccc1[CH2]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.46
CALM1 P0DP23 1/20 0.33
GPR84 Q9NQS5 2/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
AHR P35869 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
HTR2A P28223 1/20 0.31
KEAP1 Q14145 1/20 0.31
PNMT P11086 1/20 0.31
IDO1 P14902 1/20 0.31
TAAR1 Q96RJ0 3/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL3246541 0.85 TAAR1 (0.45) HSPA5KMT2ATAAR1
SCHEMBL3243401 0.85 IDO1 (0.48) PNMTIDO1TAAR1PKM
SCHEMBL3245734 0.85 TAAR1 (0.46) IDO1TAAR1
SCHEMBL1287474 0.84 CALM1 (0.52) CALM1MEN1CYP3A4KMT2AHTR2A
SCHEMBL6288770 0.82 CYP2C19 (0.50) CYP3A4MAPTTDP1TAAR1
SCHEMBL5869932 0.81 TAAR1 (0.35) HSPA5HTR2APNMTIDO1TAAR1
SCHEMBL3244848 0.80 IDO1 (0.50) MAPTIDO1TAAR1
SCHEMBL3249477 0.80 IDO1 (0.48) KMT2ATDP1IDO1
SCHEMBL27713785 0.80 CYP19A1 (0.41) MAPT
SCHEMBL525380 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130078283-A1 NOVEL AMPHIPHILES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-03-28 US disclosed
WO-2011084106-A1 NOVEL AMPHIPHILES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-07-14 WO 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-20130078283-A1 NOVEL AMPHIPHILES OLA1, SMARCA1, SMARCA2 HSPA5 1570/4885CALM1 2936/4885GPR84 770/4885

“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.