SCHEMBL5598795

SCHEMBL5598795

CC(C(=O)/C=C/c1ccccc1)C(=O)/C=C/c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.61
▸ GLA P06280 1/20 0.61
▸ ALDH1A1 P00352 4/20 0.59
▸ HDAC3 O15379 2/20 0.59
▸ HDAC4 P56524 2/20 0.59
▸ HDAC1 Q13547 2/20 0.59
▸ HDAC2 Q92769 2/20 0.59
▸ HDAC8 Q9BY41 2/20 0.59
▸ HDAC6 Q9UBN7 2/20 0.59
▸ PLIN1 O60240 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ RECQL P46063 2/20 0.59
▸ PLIN5 Q00G26 2/20 0.59
▸ ABHD5 Q8WTS1 2/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ TNKS O95271 1/20 0.59
▸ HCAR2 Q8TDS4 1/20 0.59
▸ HDAC7 Q8WUI4 1/20 0.59

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
SCHEMBL5598797 1.00 TDP1 (0.61) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL10349072 0.92 TDP1 (0.57) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL19520282 0.90 TDP1 (0.60) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL19520280 0.90 TDP1 (0.60) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL5231718 0.88 TDP1 (0.61) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL2622483 0.88 TDP1 (0.61) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL27727863 0.86 TDP1 (0.59) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL3308815 0.84 TDP1 (0.57) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL3308818 0.84 TDP1 (0.57) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL11010715 0.83 RAB9A (0.51) TDP1GLAALDH1A1HDAC3HDAC4

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 6 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
US-20060276536-A1 Cancer treatment using curcumin derivatives STC.UNM 2006-12-07 — — 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 (4 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 TDP1 4418/4885GLA 1829/4885ALDH1A1 670/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 TDP1 4418/4885GLA 1829/4885ALDH1A1 670/4885
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 TDP1 4418/4885GLA 1829/4885ALDH1A1 670/4885
US-20060276536-A1 Cancer treatment using curcumin derivatives BRCA1, VHL, TP53 TDP1 4060/4885GLA 412/4885ALDH1A1 110/4885

“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.

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