SCHEMBL1787996

SCHEMBL1787996

[CH2]C(=Cc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.50
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PRMT1 Q99873 1/20 0.45
ESR1 P03372 1/20 0.45
CYP19A1 P11511 2/20 0.43
CYP11B2 P19099 2/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.42
AKR1C3 P42330 1/20 0.41
PLIN1 O60240 1/20 0.40

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
SCHEMBL1787995 1.00 AKR1C1 (0.50) AKR1C1NPC1RAB9APRMT1ESR1
Ethylene SCHEMBL28187626 0.75 ESR1 (0.68) AKR1C1PRMT1ESR1CYP19A1CYP11B2
SCHEMBL11358721 0.75 AKR1C1 (0.45) AKR1C1PRMT1ESR1CYP19A1CYP11B2
SCHEMBL1274357 0.74 AKT1 (0.42) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL389392 0.74 AKR1C1 (0.54) AKR1C1NPC1RAB9APRMT1ESR1
SCHEMBL177552 0.74 AKT1 (0.42) ALDH1A1LMNAMAPTMEN1POLB
SCHEMBL80025 0.74 AKR1C1 (0.74) AKR1C1PRMT1ESR1ALDH1A1LMNA
SCHEMBL177551 0.74 AKT1 (0.42) ALDH1A1LMNAMAPTMEN1POLB
SCHEMBL1173621 0.74 AKT1 (0.42) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL368124 0.74 AKR1C1 (0.54) AKR1C1NPC1RAB9APRMT1ESR1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4672068-A Antihypertensive 1,4-dihydropyridines having a conjugated ester FUJIREBIO KABUSHIKI KAISHA (JP) 1987-06-09 US claimed
EP-0055562-B1 CEPHALOSPORIN DERIVATIVES ICI PHARMA (FR) 1986-02-12 EP claimed
EP-0055099-B1 PENICILLIN DERIVATIVES ICI PHARMA (FR) 1984-10-24 EP claimed
EP-0075434-A2 Cephalosporins, their preparation and their pharmaceutical compositions ICI PHARMA (FR) 1983-03-30 EP claimed
EP-0072608-A2 Process for the preparation of cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-02-23 EP claimed
EP-0071370-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them ICI PHARMA (FR) 1983-02-09 EP claimed
EP-0055562-A2 Cephalosporin derivatives ICI PHARMA (FR) 1982-07-07 EP claimed
EP-0055099-A1 Penicillin derivatives ICI PHARMA (FR) 1982-06-30 EP claimed
US-20110123929-A1 OXIME COMPOUND, PHOTOSENSITIVE COMPOSITION, COLOR FILTER, PRODUCTION METHOD FOR THE COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT FUJIFILM CORPORATION (JP) 2011-05-26 US disclosed
EP-2116527-A1 OXIME COMPOUND, PHOTOSENSITIVE COMPOSITION, COLOR FILTER, METHOD FOR PRODUCTION OF THE COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT FUJIFILM Corporation (JP) 2009-11-11 EP disclosed
US-20030129504-A1 Photosensitive resin compositon, transfer material, image forming method, color filter and producing method thereof and photomask and producing method thereof FUJI PHOTO FILM CO., LTD. 2003-07-10 US disclosed
US-4701556-A 7-(IMIDAZOL-2-YL-AMINO) CEPHEMS AND OXACEPHEMS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-20 US disclosed
EP-0055562-B1 CEPHALOSPORIN DERIVATIVES ICI PHARMA (FR) 1986-02-12 EP disclosed
US-4504478-A Cephalosporin-1-oxide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (FR) 1985-03-12 US disclosed
EP-0055099-B1 PENICILLIN DERIVATIVES ICI PHARMA (FR) 1984-10-24 EP disclosed
EP-0075434-A2 Cephalosporins, their preparation and their pharmaceutical compositions ICI PHARMA (FR) 1983-03-30 EP disclosed
EP-0072608-A2 Process for the preparation of cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-02-23 EP disclosed
EP-0071370-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them ICI PHARMA (FR) 1983-02-09 EP disclosed
EP-0055562-A2 Cephalosporin derivatives ICI PHARMA (FR) 1982-07-07 EP disclosed
EP-0055099-A1 Penicillin derivatives ICI PHARMA (FR) 1982-06-30 EP 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-20110123929-A1 OXIME COMPOUND, PHOTOSENSITIVE COMPOSITION, COLOR FILTER, PRODUCTION METHOD FOR THE COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT PPOX, CRY2, HCCS AKR1C1 653/4885NPC1 4759/4885RAB9A 4200/4885

“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.