SCHEMBL18195803

SCHEMBL18195803

COC(=O)c1cc(Cl)ccc1-c1ccc(B(O)O)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ABL1 P00519 1/20 0.46
▸ NR4A2 P43354 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ PLA2G2A P14555 2/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ ALPL P05186 1/20 0.38

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
SCHEMBL18195802 0.80 ALDH1A1 (0.48) ALDH1A1HPGDABL1NR4A2SLC6A3
SCHEMBL17133623 0.76 ABL1 (0.59) ALDH1A1HPGDABL1NR4A2SLC6A3
SCHEMBL29475502 0.76 ABL1 (0.59) ALDH1A1HPGDABL1NR4A2SLC6A3
SCHEMBL29475498 0.76 ABL1 (0.59) ALDH1A1HPGDABL1NR4A2SLC6A3
SCHEMBL20850165 0.73 MAPT (0.53) HPGDABL1NR4A2SLC6A3SLC6A4
SCHEMBL16971638 0.71 ABL1 (0.62) ALDH1A1HPGDABL1NR4A2SLC6A3
SCHEMBL31392316 0.71 ABL1 (0.50) ALDH1A1HPGDABL1NR4A2SLC6A3
SCHEMBL25010859 0.71 GAA (0.48) ALDH1A1HPGDABL1KDM4ENPC1
SCHEMBL1372080 0.71 NPSR1 (0.53) ALDH1A1HPGDKDM4ELMNANPC1
SCHEMBL20043732 0.71 NR4A2 (0.47) ALDH1A1HPGDNR4A2SLC6A3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160322577-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-11-03 — — US disclosed
US-20160322577-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-11-03 — — 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-20160322577-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AOX1, CYP1A1, CYP1B1 ALDH1A1 5/4885HPGD 2674/4885ABL1 3386/4885

“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.

Send feedback