SCHEMBL10013795

SCHEMBL10013795

CCc1c(Cl)cccc1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
AKR1B1 P15121 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
ERN1 O75460 2/20 0.36
HPGD P15428 1/20 0.35
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
TLR6 Q9Y2C9 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL17428937 0.85 MEN1 (0.42) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL15653257 0.82 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL8834700 0.80 TAAR1 (0.47) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL1486001 0.80 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL16960352 0.80 AKR1B1 (0.39) ALDH1A1KMT2ALMNAAKR1B1SMN1; SMN2
SCHEMBL15654617 0.80 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL15824333 0.80 KMT2A (0.45) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL15100314 0.80 TAAR1 (0.38) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL14760961 0.80 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL10013774 0.79 MEN1 (0.41) ALDH1A1MEN1KMT2ATDP1LMNA

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-20230159529-A1 AROMATIC COMPOUND AND APPLICATION THEREOF IN ANTITUMOR DRUG SHANGHAI ZHEYE BIOTECHNOLOGY CO., LTD. (CN) 2023-05-25 US disclosed
US-8168833-B2 Schwartz reagents: methods of in situ generation and use QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-05-01 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-20230159529-A1 AROMATIC COMPOUND AND APPLICATION THEREOF IN ANTITUMOR DRUG TYR, APC, TP53 ALDH1A1 3494/4885MEN1 3762/4885KMT2A 2815/4885

“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.