SCHEMBL4274254

SCHEMBL4274254

Fc1ccc(Br)cc1C1OCCCO1.[MgH2]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
KDM1A O60341 2/20 0.38
KDM1B Q8NB78 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
DPP4 P27487 3/20 0.33
MAPK1 P28482 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
PKM P14618 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL1592114 0.91 KDM1A (0.41) ALDH1A1KDM1AKDM1BMEN1KMT2A
SCHEMBL4274257 0.77 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL30409263 0.77 KDM1A (0.53) ALDH1A1KDM1AKDM1BLMNAHTT
SCHEMBL509469 0.77 KDM1A (0.53) ALDH1A1KDM1AKDM1BLMNAHTT
SCHEMBL20742662 0.74 MAPT (0.33) ALDH1A1KDM1AKDM1BKMT2ALMNA
SCHEMBL3686228 0.73 KMT2A (0.45) ALDH1A1MEN1KMT2AHTT
SCHEMBL1229929 0.73 KDM1A (0.38) ALDH1A1KDM1AKDM1BDPP4CYP11B1
SCHEMBL13610515 0.72 KDM1A (0.44) ALDH1A1KDM1AKDM1BMEN1KMT2A
SCHEMBL25147211 0.70 RPS6KA3 (0.40) ALDH1A1KDM1AKDM1BMEN1KMT2A
SCHEMBL31424321 0.70 KDM1A (0.44) KDM1AKDM1BMEN1KMT2ALMNA

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-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-15 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-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, MC2R, NR3C2 ALDH1A1 2756/4885KDM1A 4009/4885KDM1B 4346/4885

“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.