SCHEMBL22028461

SCHEMBL22028461

CCCC(C)c1cc(Br)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 1/20 0.37
PYCR1 P32322 2/20 0.36
HPGD P15428 4/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CYP1A2 P05177 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL22004342 0.81 TP53 (0.41) ALDH1A1KMT2AMEN1TSHRPSEN1
SCHEMBL23714903 0.80 CA2 (0.36) ALDH1A1KMT2AMEN1PYCR1HPGD
SCHEMBL19133209 0.79 APLNR (0.34) KMT2AMEN1PYCR1CYP1A2MAPT
SCHEMBL27891575 0.79 KMT2A (0.33) ALDH1A1KMT2AMEN1PYCR1LMNA
SCHEMBL30395710 0.79 RORC (0.45) KMT2AMEN1TSHRHPGDCYP1A2
SCHEMBL631530 0.79 RORC (0.45) KMT2AMEN1TSHRHPGDCYP1A2
SCHEMBL10407969 0.79 GAA (0.36) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL24313236 0.77 HPGD (0.36) ALDH1A1KMT2AMEN1TSHRHPGD
SCHEMBL3238012 0.77 GABRA1 (0.46) ALDH1A1KMT2AMEN1TSHRPYCR1
SCHEMBL30609618 0.77 GABRA1 (0.46) ALDH1A1KMT2AMEN1TSHRPYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165272-A1 BORATE COMPOUND, AND SYNTHESIS METHOD THEREFOR AND USES THEREOF CHENGDU ORIGIN BIOTECHNOLOGY LIMITED COMPANY (CN) 2020-05-28 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-20200165272-A1 BORATE COMPOUND, AND SYNTHESIS METHOD THEREFOR AND USES THEREOF PSMB11, PSMC5, SEM1 ALDH1A1 3956/4885KMT2A 1731/4885MEN1 516/4885

“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.