SCHEMBL7189345

SCHEMBL7189345

C=CCOc1ccc(C(=O)C=Cc2cc(OC)cc(OC)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 2/20 0.60
CYP1A1 P04798 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
MAOB P27338 5/20 0.59
PTPN1 P18031 1/20 0.58
FLT3 P36888 1/20 0.58
F3 P13726 2/20 0.57
MAPT P10636 5/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
KRAS P01116 1/20 0.55
SLC5A1 P13866 1/20 0.54
SLC5A2 P31639 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TNFRSF1A P19438 2/20 0.53

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
SCHEMBL7189342 1.00 CYP1B1 (0.60) CYP1B1CYP1A1CYP1A2CYP2D6MAOB
SCHEMBL9113613 0.89 MAOB (0.62) CYP1B1CYP1A1MAOBMAPTALDH1A1
SCHEMBL9113610 0.89 MAOB (0.62) CYP1B1CYP1A1MAOBMAPTALDH1A1
SCHEMBL7194631 0.86 KDM4E (0.62) MAOBPTPN1FLT3MAPTALDH1A1
SCHEMBL9112501 0.86 SLC5A1 (0.51) CYP1B1CYP1A1MAOBPTPN1FLT3
SCHEMBL7194628 0.86 KDM4E (0.62) MAOBPTPN1FLT3MAPTALDH1A1
SCHEMBL9114014 0.86 ABCG2 (0.62) CYP1B1CYP1A1MAOBPTPN1MAPT
SCHEMBL9112508 0.86 SLC5A1 (0.51) CYP1B1CYP1A1MAOBPTPN1FLT3
SCHEMBL9115658 0.86 SLC5A1 (0.51) MAOBPTPN1FLT3MAPTALDH1A1
SCHEMBL9115000 0.86 ABCG2 (0.62) CYP1B1CYP1A1MAOBPTPN1MAPT

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-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP claimed
US-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 US claimed
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP claimed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO claimed
US-6603046-B1 The invention is drawn to novel bis-aromatic a, beta -unsaturated ketones. The compounds are useful in the treatment and prophylaxis of diseases caused by parasites or bacteria. LICA PHARMACEUTICALS A/S (DK) 2003-08-05 US disclosed
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones STATENS SERUM INSTITUTE (DK) 2003-04-03 US disclosed
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP disclosed
US-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 US disclosed
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO disclosed
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO 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 (1 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-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones AKR1C3, AKR1C1, AKR1A1 CYP1B1 25/4885CYP1A1 32/4885CYP1A2 315/4885

“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.