SCHEMBL5952550

SCHEMBL5952550

O=C1c2ccccc2CC1(c1cccc2ccccc12)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
MAPT P10636 5/20 0.38
HTT P42858 5/20 0.38
NPSR1 Q6W5P4 5/20 0.38
MAPK1 P28482 3/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 3/20 0.36
ATM Q13315 1/20 0.35
POLB P06746 2/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL5951871 0.75 BCHE (0.37) ADRA1DADRA1AADRA1BMAPTNPSR1
SCHEMBL5952038 0.75 LMNA (0.36) ADRA1DADRA1AADRA1BMAPTHTT
SCHEMBL5951971 0.72 ADRA1D (0.44) ADRA1DADRA1AADRA1BMAPTHTT
SCHEMBL5951754 0.72 ADRA1D (0.41) ADRA1DADRA1AADRA1BMAPTHTT
SCHEMBL5951607 0.72 ADRA1D (0.41) ADRA1DADRA1AADRA1BMAPTHTT
SCHEMBL14939561 0.64 CYP2D6 (0.54) MAPTHTTNPSR1MAPK1TSHR
SCHEMBL9100781 0.64 L3MBTL1 (0.45) HTTNPSR1MAPK1TSHRALDH1A1
SCHEMBL6240561 0.64 ALDH1A1 (0.47) ADRA1DADRA1AADRA1BMAPTHTT
SCHEMBL28656850 0.63 LMNA (0.41) MAPTHTTNPSR1TSHRALDH1A1
SCHEMBL8752992 0.63 MEN1 (0.45) MAPTHTTNPSR1MAPK1TSHR

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 ADRA1D 1387/4885ADRA1A 1011/4885ADRA1B 867/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ADRA1D 1089/4885ADRA1A 831/4885ADRA1B 752/4885

“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.