SCHEMBL9925856

SCHEMBL9925856

CC1=CCC(c2ccccc2)S1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
GSK3B P49841 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
MAOA P21397 6/20 0.32
MAOB P27338 6/20 0.32
KDM1A O60341 5/20 0.32
BRD4 O60885 1/20 0.32
CYP2B6 P20813 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
SCHEMBL18117438 0.83 MAPT (0.36) GSK3BMAPTMAOAMAOB
SCHEMBL8295568 0.80 MAPT (0.35) ALDH1A1GAAHSD17B10MAPTCYP2C19
SCHEMBL14629116 0.80 ACHE (0.34) MEN1KMT2AMAPT
SCHEMBL9925876 0.77 ALDH1A1 (0.38) ALDH1A1MEN1GAAKMT2ASMN1; SMN2
SCHEMBL14629066 0.77 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TSHRHSD17B10MAPT
SCHEMBL9925838 0.77 MAOA (0.45) MEN1KMT2ASMN1; SMN2RAB9AMAOA
SCHEMBL24514736 0.75 TSHR (0.35) ALDH1A1SMN1; SMN2TSHRHSD17B10GSK3B
SCHEMBL23396480 0.75 CYP3A4 (0.39) ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL25077740 0.70 CYP2A6 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL14394336 0.68 SLC6A2 (0.34) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3715355-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2022-12-14 EP disclosed
EP-3549944-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2021-12-29 EP disclosed
US-8318948-B2 Fluorene derivatives and organic electronic device using the same LG CHEM, LTD. (KR) 2012-11-27 US disclosed
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed
EP-2295402-A2 Antibacterial agents The University of Washington (US) 2011-03-16 EP disclosed
US-20100071769-A1 FLUORENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2010-03-25 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-20100071769-A1 FLUORENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, FTO ALDH1A1 779/4885MEN1 1788/4885GAA 2054/4885

“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.