SCHEMBL14410282

SCHEMBL14410282

Cc1c(Br)cc(C(C)(C)C)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CYP2C19 P33261 3/20 0.42
HIF1A Q16665 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
ALOX15 P16050 3/20 0.42
ALOX12 P18054 2/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
HTR1D P28221 2/20 0.38
CHEK1 O14757 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
SCHEMBL30620458 0.85 POLB (0.38) POLBCYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL29589631 0.84 POLB (0.46) POLBCYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL10048267 0.83 TSHR (0.61) CYP2C19HIF1ACYP1A2CYP2D6CYP2C9
SCHEMBL13558892 0.80 HIF1A (0.39) POLBCYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL12678851 0.80 HIF1A (0.39) POLBCYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL22225306 0.80 APEX1 (0.45) POLBCYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL25888235 0.79 POLB (0.46) POLBCYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL13945808 0.78 HIF1A (0.42) POLBCYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL4151318 0.78 HIF1A (0.42) POLBCYP2C19HIF1ACYP1A2CYP2D6
SCHEMBL4422811 0.77 RXRB (0.46) CYP2C19HIF1ACYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024085749-A1 A NON-AQUEOUS REDOX FLOW BATTERY TECHNISCHE UNIVERSITEIT EINDHOVEN (NL) 2024-04-25 WO disclosed
WO-2021224818-A1 ISOINDOLONE COMPOUNDS AS HPK1 INHIBITORS PFIZER INC. (US) 2021-11-11 WO disclosed
WO-2019164340-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2019-08-29 WO disclosed
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 POLB 3064/4885CYP2C19 380/4885HIF1A 3983/4885

“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.