SCHEMBL2609331

SCHEMBL2609331

CC(C)c1cccc(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 2/20 0.45
PIK3CA P42336 3/20 0.44
PIK3CB P42338 3/20 0.44
PIK3CG P48736 3/20 0.44
CRHR1 P34998 4/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALPL P05186 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
PTPN1 P18031 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL2609366 0.84 KMO (0.45) HSD11B1
SCHEMBL18015820 0.83 HTR1B (0.43) HSD11B1
SCHEMBL2609340 0.82 HSP90AA1 (0.50) HSP90AA1HSP90AB1PIK3CAPIK3CBPIK3CG
SCHEMBL2609342 0.81 HSD11B1 (0.42) HSP90AA1HSP90AB1MAPTPTPN1HSD11B1
SCHEMBL2615267 0.78 HSP90AA1 (0.57) HSP90AA1HSP90AB1PIK3CAPIK3CBPIK3CG
SCHEMBL2609328 0.77 CNR2 (0.44) MAPTHSD11B1
SCHEMBL2609330 0.76 HSD11B1 (0.40) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL25763690 0.75 KDM4E (0.45) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL12922238 0.74 CCR1 (0.46) HSP90AA1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL12139765 0.74 CTSA (0.39) HSP90AA1HSP90AB1LMNAMAPTMEN1

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-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 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-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 HSP90AA1 3335/4885HSP90AB1 3743/4885PIK3CA 2883/4885

“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.