SCHEMBL30249381

SCHEMBL30249381

CCCCOC(=O)c1nc(F)ccc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.51
TSHR P16473 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 5/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP2D6 P10635 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ATM Q13315 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43
PDE4D Q08499 1/20 0.43
MAPT P10636 4/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL30200423 0.85 TARBP2 (0.46) TSHRL3MBTL1LMNACYP1A2MAPK1
SCHEMBL11176107 0.77 TSHR (0.57) ESR1TSHRL3MBTL1TDP1LMNA
SCHEMBL11179013 0.74 ALDH1A1 (0.55) ESR1TSHRL3MBTL1TDP1LMNA
SCHEMBL30075579 0.74 CYP1A2 (0.54) ESR1TSHRL3MBTL1TDP1LMNA
SCHEMBL13541203 0.72 ESR1 (0.68) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL24986653 0.71 SMN1; SMN2 (0.44) ESR1TSHRL3MBTL1TDP1LMNA
SCHEMBL17286508 0.71 ESR1 (0.57) ESR1TSHRL3MBTL1TDP1LMNA
SCHEMBL6235654 0.71 ESR1 (0.61) ESR1TSHRL3MBTL1TDP1LMNA
SCHEMBL19600929 0.71 L3MBTL1 (0.58) ESR1TSHRL3MBTL1TDP1LMNA
SCHEMBL23749803 0.70 LMNA (0.54) ESR1TSHRL3MBTL1TDP1LMNA

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-20230077680-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2023-03-16 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-20230077680-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES EGFR, ERBB2, ERBB3 ESR1 553/4885TSHR 719/4885L3MBTL1 4543/4885

“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.