SCHEMBL15907877

SCHEMBL15907877

Cc1cc(-c2ccc(OC(C)(C)C)cc2)n[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP19A1 P11511 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
RAB9A P51151 7/20 0.57
NPC1 O15118 7/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 6/20 0.46
MAPK1 P28482 1/20 0.46
ALK Q9UM73 1/20 0.45
ALPL P05186 2/20 0.41
CA9 Q16790 1/20 0.41
RIPK1 Q13546 1/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40

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
SCHEMBL13363876 0.82 CYP1A2 (0.66) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL13425914 0.81 RAB9A (0.69) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL794199 0.78 CYP1A2 (0.60) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL2766145 0.76 RAB9A (0.71) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6945829 0.75 CYP1A2 (0.57) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL15908507 0.73 NPC1 (0.67) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL1160360 0.73 NPC1 (0.67) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL14097585 0.73 L3MBTL1 (0.92) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL2360295 0.73 NPC1 (0.67) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL792992 0.73 NPC1 (1.00) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9087642-B2 Photoelectric conversion element, photoelectrochemical cell, and metal complex dye used therein FUJIFILM CORPORATION (JP) 2015-07-21 US disclosed
US-9087642-B2 Photoelectric conversion element, photoelectrochemical cell, and metal complex dye used therein FUJIFILM CORPORATION (JP) 2015-07-21 US disclosed
EP-2763233-A1 PHOTOELECTRIC CONVERSION ELEMENT, PHOTOELECTROCHEMICAL CELL, AND METAL COMPLEX PIGMENT USED IN SAME FUJI-FILM Corporation (JP) 2014-08-06 EP disclosed
US-20140209172-A1 PHOTOELECTRIC CONVERSION ELEMENT, PHOTOELECTROCHEMICAL CELL, AND METAL COMPLEX DYE USED THEREIN FUJIFILM CORPORATION (JP) 2014-07-31 US disclosed
US-20140209172-A1 PHOTOELECTRIC CONVERSION ELEMENT, PHOTOELECTROCHEMICAL CELL, AND METAL COMPLEX DYE USED THEREIN FUJIFILM CORPORATION (JP) 2014-07-31 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-20140209172-A1 PHOTOELECTRIC CONVERSION ELEMENT, PHOTOELECTROCHEMICAL CELL, AND METAL COMPLEX DYE USED THEREIN L1CAM, CDH1, CD4 CYP1A2 2631/4885CYP2D6 3066/4885CYP19A1 2515/4885

“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.