SCHEMBL4201800

SCHEMBL4201800

CCC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.76
AKR1C2 P52895 13/20 0.76
PTGS1 P23219 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
PTGS2 P35354 2/20 0.67
LMNA P02545 2/20 0.67
MAPT P10636 2/20 0.67
AKR1C4 P17516 2/20 0.67
AKR1C1 Q04828 2/20 0.67
FABP2 P12104 1/20 0.67
TSHR P16473 1/20 0.67
ADRA2B P18089 1/20 0.67
CHRM3 P20309 1/20 0.67
HTR2C P28335 1/20 0.67
DRD3 P35462 1/20 0.67
SLC22A6 Q4U2R8 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C9 P11712 1/20 0.67
HPGD P15428 1/20 0.67

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
SCHEMBL13890456 0.90 AKR1C3 (0.63) AKR1C3AKR1C2PTGS1MEN1KMT2A
SCHEMBL9555722 0.89 AKR1C3 (0.63) AKR1C3AKR1C2PTGS1MEN1KMT2A
SCHEMBL23070753 0.87 AKR1C3 (1.00) AKR1C3AKR1C2PTGS1MEN1KMT2A
SCHEMBL10717287 0.85 AKR1C3 (0.62) AKR1C3AKR1C2PTGS1MEN1KMT2A
SCHEMBL8811503 0.85 AKR1C3 (0.62) AKR1C3AKR1C2PTGS1MEN1KMT2A
SCHEMBL8810324 0.85 AKR1C3 (0.62) AKR1C3AKR1C2PTGS1MEN1KMT2A
SCHEMBL8813503 0.85 AKR1C3 (0.62) AKR1C3AKR1C2PTGS1MEN1KMT2A
SCHEMBL16114493 0.84 PTGS2 (0.58) AKR1C3AKR1C2PTGS1MEN1KMT2A
SCHEMBL28460308 0.84 AKR1C3 (0.62) AKR1C3AKR1C2PTGS1MEN1KMT2A
SCHEMBL10760724 0.83 AKR1C3 (0.63) AKR1C3AKR1C2PTGS1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111741944-A Anticancer compounds 悉尼大学 2020-10-02 CN disclosed
US-20150232407-A1 DRUG SUBSTANCE PREPARATIONS, PHARMACEUTICAL COMPOSITIONS AND DOSAGE FORMS COMPRISING S-(+)-FLURBIPROFEN AESICA PHARMACEUTICALS LIMITED (GB) 2015-08-20 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
WO-2005092062-A2 COMPOUNDS FOR NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2005-10-06 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 (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-20150232407-A1 DRUG SUBSTANCE PREPARATIONS, PHARMACEUTICAL COMPOSITIONS AND DOSAGE FORMS COMPRISING S-(+)-FLURBIPROFEN CYP2F1, CYP2B6, GABBR2 AKR1C3 565/4885AKR1C2 557/4885PTGS1 920/4885
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 AKR1C3 570/4885AKR1C2 653/4885PTGS1 2198/4885

“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.