SCHEMBL10021704

SCHEMBL10021704

O=C(/C=C/c1cccc(CBr)c1)/C=C/c1cccc(CBr)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.61
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PLIN1 O60240 1/20 0.52
LMNA P02545 1/20 0.52
CYP2D6 P10635 1/20 0.52
F3 P13726 1/20 0.52
RECQL P46063 1/20 0.52
PLIN5 Q00G26 1/20 0.52
ABHD5 Q8WTS1 1/20 0.52
KDM4E B2RXH2 3/20 0.48
PKM P14618 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
HDAC4 P56524 2/20 0.44
MEF2D Q14814 1/20 0.44
JUN P05412 2/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL3565886 0.89 KDM4E (0.59) HSD17B3CYP2C9ALDH1A1MAPTSMN1; SMN2
SCHEMBL3565889 0.89 KDM4E (0.59) HSD17B3CYP2C9ALDH1A1MAPTSMN1; SMN2
SCHEMBL10509072 0.82 TTR (0.53) ALDH1A1MAPTSMN1; SMN2KDM4EAKR1B10
SCHEMBL10509071 0.82 TTR (0.53) ALDH1A1MAPTSMN1; SMN2KDM4EAKR1B10
SCHEMBL31380271 0.82 TTR (0.53) ALDH1A1MAPTSMN1; SMN2KDM4EAKR1B10
SCHEMBL4089747 0.80 TTR (0.57) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL4089749 0.80 TTR (0.57) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL18197883 0.79 ALDH1A1 (0.39) HSD17B3ALDH1A1KDM4EPKMNPSR1
SCHEMBL17500232 0.79 NR1H4 (0.51) ALDH1A1SMN1; SMN2LMNAKDM4EPKM
SCHEMBL17500223 0.79 NR1H4 (0.51) ALDH1A1SMN1; SMN2LMNAKDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564204-A1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS The University of Tokyo (JP) 2019-11-06 EP disclosed
EP-3045445-B1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS UNIV TOKYO (JP) 2019-08-07 EP disclosed
EP-2606021-B1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS UNIV TOKYO (JP) 2019-07-31 EP disclosed
US-9359279-B2 Treatment of cancer, inflammatory disease, and autoimmune disease ALLIANZ PHARMASCIENCE LTD. (TW) 2016-06-07 US disclosed
US-9359279-B2 Treatment of cancer, inflammatory disease, and autoimmune disease ALLIANZ PHARMASCIENCE LTD. (TW) 2016-06-07 US disclosed
US-20140371177-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASE, AND AUTOIMMUNE DISEASE ALLIANZ PHARMASCIENCE LTD. (TW) 2014-12-18 US disclosed
US-20140371177-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASE, AND AUTOIMMUNE DISEASE ALLIANZ PHARMASCIENCE LTD. (TW) 2014-12-18 US disclosed
US-8822732-B2 1,5-diphenyl-penta-1,4-dien-3-one compounds ANDROSCIENCE CORPORATION (US) 2014-09-02 US disclosed
US-8822732-B2 1,5-diphenyl-penta-1,4-dien-3-one compounds ANDROSCIENCE CORPORATION (US) 2014-09-02 US disclosed
WO-2012024282-A2 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS SHIH CHARLES C-Y (US) 2012-02-23 WO disclosed
US-20120046247-A1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS ALLIANZ PHARMASCIENCE LTD. (TW) 2012-02-23 US disclosed
US-20120046247-A1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS ALLIANZ PHARMASCIENCE LTD. (TW) 2012-02-23 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-20120046247-A1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS PDCD5, IL5, MALT1 HSD17B3 695/4885CYP1A2 1314/4885CYP2C9 1983/4885
US-20140371177-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASE, AND AUTOIMMUNE DISEASE PHOSPHO1, SELENOI, CD2 HSD17B3 2566/4885CYP1A2 4445/4885CYP2C9 4186/4885

“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.