SCHEMBL10064797

SCHEMBL10064797

CC(C)(C)c1ccc(F)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
POLB P06746 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
CNR1 P21554 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PLA2G1B P04054 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL24443242 0.89 AKR1C3 (0.43) SCDAKR1C3AKR1C2POLBCNR1
SCHEMBL10064808 0.87 GCGR (0.46) SCDMEN1KMT2AAKR1C3AKR1C2
SCHEMBL10064821 0.86 PTGS2 (0.45) SCDAKR1C3AKR1C2NPC1RAB9A
SCHEMBL10064839 0.85 TSHR (0.50) SCDAKR1C3AKR1C2NPC1RAB9A
SCHEMBL10064836 0.85 APP (0.50) SCDAKR1C3AKR1C2NPC1RAB9A
SCHEMBL10064796 0.83 NPC1 (0.47) SCDAKR1C3AKR1C2NPC1RAB9A
SCHEMBL10064798 0.81 AKR1C3 (0.39) SCDMEN1KMT2AAKR1C3AKR1C2
SCHEMBL10064813 0.81 KIF11 (0.45) SCDAKR1C3AKR1C2ALDH1A1CYP1A2
SCHEMBL28121289 0.80 ALDH1A1 (0.52) MEN1KMT2AAKR1C2POLBCNR1
SCHEMBL17806547 0.79 GCGR (0.46) SCDMEN1KMT2AAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096567-B2 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2015-08-04 US disclosed
US-20140221342-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2014-08-07 US disclosed
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 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 (2 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-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES SLC18A2, SLC1A2, SLC6A1 SCD 1159/4885MEN1 2688/4885KMT2A 3137/4885
US-20140221342-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES HRH1, HRH2, HRH4 SCD 4032/4885MEN1 4368/4885KMT2A 779/4885

“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.