SCHEMBL4934945

SCHEMBL4934945

CC(C)=CCc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.47
MAPT P10636 2/20 0.44
CYP19A1 P11511 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 3/20 0.44
AKR1C2 P52895 1/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ELANE P08246 1/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7198618 0.84 FOLH1 (0.50) AKR1C3MAPTHTTALDH1A1HPGD
SCHEMBL3125292 0.82 MEN1 (0.54) AKR1C3MAPTHTTAKR1C2ALDH1A1
SCHEMBL170063 0.79 AKR1C3 (0.50) AKR1C3MAPTCYP19A1GAAALDH1A1
SCHEMBL943893 0.79 AKR1C3 (0.50) AKR1C3MAPTCYP19A1GAAALDH1A1
SCHEMBL30560007 0.79 AKR1C3 (0.50) AKR1C3MAPTCYP19A1GAAALDH1A1
SCHEMBL28284541 0.79 HTT (0.44) AKR1C3MAPTHTTALDH1A1HPGD
Propane SCHEMBL28419357 0.79 ELANE (0.47) AKR1C3MAPTCYP19A1GAAALDH1A1
SCHEMBL8331815 0.79 MEN1 (0.41) AKR1C3MAPTHTTAKR1C2ALDH1A1
SCHEMBL29881091 0.78 AKR1C3 (0.57) AKR1C3MAPTCYP19A1GAAALDH1A1
SCHEMBL723171 0.78 AKR1C3 (0.57) AKR1C3MAPTCYP19A1GAAALDH1A1

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
WO-2024054950-A1 CANCER TREATMENT USING MTDP INHIBITORS AND PLK1 INHIBITORS CARDIFF ONCOLOGY, INC. (US) 2024-03-14 WO disclosed
EP-3373971-A1 METHODS AND COMPOSITIONS FOR DETECTING AND MODULATING CANCER CELLS Massachusetts Institute of Technology (US) 2018-09-19 EP disclosed
US-20170168056-A1 METHODS AND COMPOSITIONS FOR DETECTING AND MODULATING CANCER CELLS ALBERT EINSTEIN COLLEGE OF MEDICINE 2017-06-15 US disclosed
WO-2017083854-A1 METHODS AND COMPOSITIONS FOR DETECTING AND MODULATING CANCER CELLS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-05-18 WO disclosed
US-20080207952-A1 NOVEL THERAPEUTIC APPLICATIONS OF NATURAL POLY ISOPRENYLATED BENZOPHENONE DERIVATIVES AS DRUGS/MEDICAMENTS MAJEED MUHAMMED 2008-08-28 US disclosed
US-6956061-B2 Polyisoprenylbenzophenone derivatives, processes for their preparation and use thereof AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-10-18 US disclosed
US-20040082662-A1 Polyisoprenylbenzophenone derivatives, processes for their preparation and use thereof AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-04-29 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 (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-20040082662-A1 Polyisoprenylbenzophenone derivatives, processes for their preparation and use thereof GGPS1, PGGT1B, GNPAT AKR1C3 1442/4885MAPT 2407/4885CYP19A1 794/4885

“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.