SCHEMBL5598951

SCHEMBL5598951

O=C(C=Cc1ccccc1C(F)(F)F)C=Cc1ccccc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 1.00
MAOB P27338 9/20 0.66
P4HB P07237 1/20 0.64
ABCG2 Q9UNQ0 1/20 0.64
MAOA P21397 1/20 0.59
BACE1 P56817 1/20 0.59
LMNA P02545 2/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NFE2L2 Q16236 3/20 0.55
JUN P05412 1/20 0.55
HSD11B1 P28845 1/20 0.53
GAA P10253 1/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GPR183 P32249 1/20 0.49
TFEB P19484 1/20 0.49

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
SCHEMBL5598947 1.00 NFKB1 (1.00) NFKB1MAOBP4HBABCG2MAOA
SCHEMBL17068273 0.92 NFKB1 (0.84) NFKB1MAOBP4HBABCG2MAOA
SCHEMBL82266 0.87 NFKB1 (0.77) NFKB1MAOBP4HBABCG2MAOA
SCHEMBL29365331 0.87 NFKB1 (0.77) NFKB1MAOBP4HBABCG2MAOA
SCHEMBL8055837 0.87 NFKB1 (0.77) NFKB1MAOBP4HBABCG2MAOA
SCHEMBL82267 0.87 NFKB1 (0.77) NFKB1MAOBP4HBABCG2MAOA
SCHEMBL5647110 0.85 NFKB1 (0.74) NFKB1MAOBP4HBABCG2MAOA
SCHEMBL6510369 0.85 NFKB1 (0.74) NFKB1MAOBP4HBABCG2MAOA
Hydrochloric Acid SCHEMBL6821798 0.85 NFKB1 (0.74) NFKB1MAOBP4HBABCG2MAOA
SCHEMBL30963014 0.85 NFKB1 (0.74) NFKB1MAOBP4HBABCG2MAOA

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-20160039734-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC UNM (US) 2016-02-11 US disclosed
US-9187397-B2 Therapeutic curcumin derivatives STC.UNM (US) 2015-11-17 US disclosed
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC.UNM 2015-01-08 US disclosed
US-8841326-B2 Therapeutic curcumin derivatives STC.UNM (US) 2014-09-23 US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 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 (3 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-20160039734-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 NFKB1 418/4885MAOB 1674/4885P4HB 3618/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 NFKB1 418/4885MAOB 1674/4885P4HB 3618/4885
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 NFKB1 418/4885MAOB 1674/4885P4HB 3618/4885

“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.