SCHEMBL5598566

SCHEMBL5598566

O=C(C=Cc1cccc(Cl)c1)C=Cc1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 1.00
CYP2C9 P11712 3/20 1.00
MAOB P27338 6/20 0.67
HSD17B3 P37058 1/20 0.61
CYP2D6 P10635 3/20 0.59
MAOA P21397 3/20 0.59
CYP1A1 P04798 2/20 0.59
CYP1B1 Q16678 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
ALDH1A1 P00352 2/20 0.57
PLIN1 O60240 1/20 0.57
MAPT P10636 1/20 0.57
F3 P13726 1/20 0.57
RECQL P46063 1/20 0.57
PLIN5 Q00G26 1/20 0.57
ABHD5 Q8WTS1 1/20 0.57
MEN1 O00255 2/20 0.56

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
SCHEMBL31553466 1.00 CYP1A2 (1.00) CYP1A2CYP2C9MAOBHSD17B3CYP2D6
SCHEMBL5598564 1.00 CYP1A2 (1.00) CYP1A2CYP2C9MAOBHSD17B3CYP2D6
SCHEMBL22596713 0.88 CYP1A2 (0.79) CYP1A2CYP2C9MAOBCYP2D6MAOA
SCHEMBL1556592 0.86 CYP1A2 (0.76) CYP1A2CYP2C9MAOBCYP2D6MAOA
3-Chloro-Cinnamic Acid SCHEMBL22396853 0.86 CYP1A2 (0.76) CYP1A2CYP2C9MAOBCYP2D6MAOA
3-Chloro-Cinnamic Acid SCHEMBL79592 0.86 CYP1A2 (0.76) CYP1A2CYP2C9MAOBCYP2D6MAOA
3-Chloro-Cinnamic Acid SCHEMBL79591 0.86 CYP1A2 (0.76) CYP1A2CYP2C9MAOBCYP2D6MAOA
SCHEMBL1556590 0.86 CYP1A2 (0.76) CYP1A2CYP2C9MAOBCYP2D6MAOA
SCHEMBL29538579 0.86 CYP1A2 (0.73) CYP1A2CYP2C9MAOBHSD17B3CYP2D6
SCHEMBL28739899 0.86 CYP1A2 (0.73) CYP1A2CYP2C9MAOBHSD17B3CYP2D6

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 7 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
US-RE29358-E ANTI-MALARIA AND ANTI-TUBERCULOSIS AGENTS AMERICAN CYANAMID COMPANY (US) 1977-08-16 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 CYP1A2 2544/4885CYP2C9 3299/4885MAOB 1674/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 CYP1A2 2544/4885CYP2C9 3299/4885MAOB 1674/4885
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 CYP1A2 2544/4885CYP2C9 3299/4885MAOB 1674/4885
US-20060276536-A1 Cancer treatment using curcumin derivatives BRCA1, VHL, TP53 CYP1A2 760/4885CYP2C9 1867/4885MAOB 3956/4885

“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.