SCHEMBL668173

SCHEMBL668173

CB(C)C1(B(C)C)C=CC(c2cccs2)S1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 3/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL556141 0.77 MAPT (0.31) MEN1ALDH1A1KMT2AMAPT
SCHEMBL2788715 0.75 MEN1 (0.33) MEN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL15568368 0.75 MEN1 (0.33) MEN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL3373110 0.75 MEN1 (0.33) MEN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL15525622 0.71 ALDH1A1 (0.33) MEN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL7062104 0.71 ALDH1A1 (0.35) MEN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL7062683 0.69 LMNA (0.32) MEN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL8411178 0.69 MEN1 (0.32) MEN1ALDH1A1KMT2AMAPTHPGD
SCHEMBL7062638 0.68 BRD4 (0.37) MEN1ALDH1A1KMT2AMAPTGAA
SCHEMBL17557972 0.68 LMNA (0.32) ALDH1A1SMN1; SMN2LMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022191609-A1 IRIDIUM COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 고려대학교 세종산학협력단 2022-09-15 WO disclosed
US-9106057-B2 White-emitting monomolecular compound using excited-state intramolecular proton transfer, organic electroluminescent element and laser device using the same DONGWOO FINE-CHEM CO. LTD. (KR) 2015-08-11 US disclosed
US-9077155-B2 White-emitting monomolecular compound using excited-state intramolecular proton transfer, organic electroluminescent element and laser device using the same DONGWOO FINE-CHEM CO. LTD. (KR) 2015-07-07 US disclosed
US-9024036-B2 White-emitting monomolecular compound using excited-state intramolecular proton transfer, organic electroluminescent element and laser device using the same DONGWOO FINE-CHEM CO. LTD. (KR) 2015-05-05 US disclosed
US-20140018543-A1 WHITE-EMITTING MONOMOLECULAR COMPOUND USING EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER, ORGANIC ELECTROLUMINESCENT ELEMENT AND LASER DEVICE USING THE SAME SNU R&DB FOUNDATION (KR) 2014-01-16 US disclosed
US-8569510-B2 White-emitting compounds using excited-state intramolecular proton transfer, organic electroluminescent element and laser material using the same DONGWOO FINE-CHEM CO. LTD. (KR) 2013-10-29 US disclosed
US-20120046472-A1 WHITE-EMITTING COMPOUNDS USING EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER, ORGANIC ELECTROLUMINESCENT ELEMENT AND LASER MATERIAL USING THE SAME SNU R&DB FOUNDATION (KR) 2012-02-23 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-20120046472-A1 WHITE-EMITTING COMPOUNDS USING EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER, ORGANIC ELECTROLUMINESCENT ELEMENT AND LASER MATERIAL USING THE SAME ICMT, INCENP, TRMT1 MEN1 2625/4885ALDH1A1 2369/4885KMT2A 790/4885

“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.