SCHEMBL4228622

SCHEMBL4228622

Cc1ccc2c(Br)cccc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 3/20 0.40
CYP2A6 P11509 3/20 0.40
PARP1 P09874 1/20 0.39
PNMT P11086 1/20 0.37
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BACE1 P56817 1/20 0.35
PRNP P04156 1/20 0.35
AHR P35869 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL13169250 0.84 CYP1A2 (0.62) ALDH1A1CYP1A2CYP2A6TSHRCYP3A4
SCHEMBL7530012 0.83 CYP1A2 (0.40) ALDH1A1CYP1A2CYP2A6TSHRCYP3A4
SCHEMBL19673857 0.79 CYP1A2 (0.62) ALDH1A1CYP1A2CYP2A6PARP1PNMT
SCHEMBL22810312 0.78 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2A6PARP1PNMT
SCHEMBL3269484 0.78 ACHE (0.39) ALDH1A1CYP1A2CYP2A6TSHRCYP3A4
SCHEMBL24809340 0.78 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2A6PARP1PNMT
SCHEMBL3269018 0.78 CYP1A2 (0.54) ALDH1A1CYP1A2CYP2A6PARP1PNMT
SCHEMBL30547318 0.78 CYP1A2 (0.68) ALDH1A1CYP1A2CYP2A6PARP1PNMT
SCHEMBL8900857 0.78 PARP1 (0.43) ALDH1A1CYP1A2PARP1PNMTBACE1
SCHEMBL7836756 0.78 CYP1A2 (0.68) ALDH1A1CYP1A2CYP2A6PARP1PNMT

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-11653562-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-05-16 US disclosed
WO-2022081928-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
US-20110059545-A1 TIME-TEMPERATURE INDICATOR BASED ON OLIGOMERIC SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2011-03-10 US disclosed
US-20090098410-A1 Trimethine Dimer Compound and Optical Recording Medium Using the Same MITSUI CHEMICALS, INC. (JP) 2009-04-16 US disclosed
EP-1900779-A1 TRIMETHINE DIMER COMPOUND AND OPTICAL RECORDING MEDIUM USING SAME Mitsui Chemicals, Inc. (JP) 2008-03-19 EP 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-20090098410-A1 Trimethine Dimer Compound and Optical Recording Medium Using the Same TXNL1, TMCO1, TFPI2 ALDH1A1 3651/4885CYP1A2 398/4885CYP2A6 2100/4885
US-20110059545-A1 TIME-TEMPERATURE INDICATOR BASED ON OLIGOMERIC SPIROAROMATICS CCND3, CCNT1, SCO2 ALDH1A1 2009/4885CYP1A2 2157/4885CYP2A6 1241/4885
US-11653562-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same OPA1, ODC1, TMEM109 ALDH1A1 117/4885CYP1A2 1454/4885CYP2A6 3828/4885

“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.