SCHEMBL10001703

SCHEMBL10001703

Cc1ccccc1-c1cc[n+](C)cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 4/20 0.46
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
SLC22A3 O75751 1/20 0.38
SLC6A4 P31645 1/20 0.38
ACHE P22303 2/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
BCHE P06276 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.36
CA12 O43570 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
SCHEMBL19607346 0.89 CHAT (0.44) CHATSLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL1582494 0.80 CHAT (0.39) CHATSLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL19607333 0.76 SLC6A4 (0.44) CHATAPOBEC3AAPOBEC3GSLC22A2SLC22A1
SCHEMBL30354037 0.75 ACHE (0.64) RAB9AACHETSHRNPC1CASP3
SCHEMBL30169568 0.75 ACHE (0.64) RAB9AACHETSHRNPC1CASP3
SCHEMBL197690 0.75 ACHE (0.64) RAB9AACHETSHRNPC1CASP3
Bromide SCHEMBL10840998 0.74 APOBEC3A (0.44) KDM4EAPOBEC3AAPOBEC3GSLC6A4TSHR
Lithium SCHEMBL31260773 0.72 ACHE (0.60) RAB9AACHETSHRNPC1CASP3
Ammonia Solution, Strong SCHEMBL842431 0.72 ACHE (0.60) RAB9AACHETSHRNPC1CASP3
SCHEMBL6564122 0.72 ACHE (0.60) RAB9AACHETSHRNPC1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160293864-A1 ORGANIC ELECTROLUMINESCENT DEVICES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-10-06 US disclosed
US-20160268518-A1 Carbene Metal Complexes as OLED Materials UNIV SOUTHERN CALIFORNIA (US) 2016-09-15 US disclosed
US-9356245-B2 Carbene metal complexes as OLED materials UNIVERSAL DISPLAY CORPORATION (US) 2016-05-31 US disclosed
US-20130214264-A1 CARBENE METAL COMPLEXES AS OLED MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2013-08-22 US disclosed
US-8426041-B2 Carbene metal complexes as OLED materials UNIVERSAL DISPLAY CORPORATION (US) 2013-04-23 US disclosed
US-8426041-B2 Carbene metal complexes as OLED materials UNIVERSAL DISPLAY CORPORATION (US) 2013-04-23 US disclosed
US-20120104378-A1 CARBENE METAL COMPLEXES AS OLED MATERIALS DJUROVICH PETER (US) 2012-05-03 US disclosed
US-8114533-B2 Carbene metal complexes as OLED materials UNIVERSAL DISPLAY CORPORATION (US) 2012-02-14 US disclosed
US-20100007273-A1 CARBENE METAL COMPLEXES AS OLED MATERIALS DJUROVICH PETER 2010-01-14 US disclosed
US-7601436-B2 a triazole ring containing carbene compound complexed with transitional metal; zwitterionic carbon donor ligand; THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-13 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-20160268518-A1 Carbene Metal Complexes as OLED Materials OCIAD1, OCIAD2, OXA1L CHAT 440/4885RAB9A 3579/4885KDM4E 3738/4885
US-20100007273-A1 CARBENE METAL COMPLEXES AS OLED MATERIALS OCIAD1, OCIAD2, OXA1L CHAT 440/4885RAB9A 3579/4885KDM4E 3738/4885
US-20120104378-A1 CARBENE METAL COMPLEXES AS OLED MATERIALS OCIAD1, OCIAD2, OXA1L CHAT 440/4885RAB9A 3579/4885KDM4E 3738/4885

“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.