SCHEMBL5951680

SCHEMBL5951680

CCC1=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc2C1[Zr](Cl)(Cl)C1C(CC)=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
TACR1 P25103 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
SCHEMBL2524024 0.81 NR1H4 (0.32)
SCHEMBL8169998 0.80 HTR1A (0.34) HTR1AHTR7AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL5951673 0.80 HTR1A (0.38) HTR1AHTR7AKR1C3AKR1C2TACR1
SCHEMBL27567454 0.79
SCHEMBL27587002 0.79 EDNRB (0.34)
SCHEMBL5951126 0.78 HTR1A (0.33) HTR1AHTR7
SCHEMBL6377741 0.78 HTR1A (0.33) HTR1AHTR7AKR1C3AKR1C2TACR1
SCHEMBL8465340 0.78 HTR1A (0.33) HTR1AHTR7
SCHEMBL5952972 0.78 HTR1A (0.33) HTR1AHTR7
SCHEMBL8169497 0.77 AKR1C3 (0.32) HTR1AHTR7AKR1C3AKR1C2

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.