SCHEMBL5952264

SCHEMBL5952264

CCC1Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc(C)c2C1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.38
HTR7 P34969 2/20 0.38
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 1/20 0.35
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 1/20 0.34
AKR1C1 Q04828 1/20 0.32
METAP1 P53582 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
PARP1 P09874 1/20 0.32
IKBKB O14920 1/20 0.32
HSP90AB1 P08238 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL5952896 0.90 MAOA (0.37) HTR1AHTR7AKR1C3AKR1C2MAOA
SCHEMBL11869488 0.75 MAOA (0.46) MAOAMAOBHSP90AB1
SCHEMBL19364497 0.72
SCHEMBL1023551 0.70 MAOA (0.36) MAOAMAOBPARP1NPC1
SCHEMBL19393558 0.69 ACHE (0.38) AKR1C3AKR1C2
SCHEMBL10342975 0.67 NOTUM (0.37) AKR1C3AKR1C2AKR1C1METAP1
SCHEMBL16201917 0.67 CYP19A1 (0.42) HTR1AHTR7AKR1C3AKR1C2
SCHEMBL5951965 0.66 ACHE (0.53) HTR1AHTR7AKR1C3AKR1C2MAOA
SCHEMBL10342734 0.65 XDH (0.40) HTR1AHTR7MAOBIKBKB
SCHEMBL5952037 0.65 ACHE (0.36) MAOAMETAP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A HTR1A 2570/4885HTR7 1861/4885AKR1C3 506/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 HTR1A 2132/4885HTR7 2049/4885AKR1C3 461/4885

“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.