SCHEMBL6326133

SCHEMBL6326133

CC1=Cc2c(-c3ccccc3)cccc2C1[Ti]C1C(C)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
BRD4 O60885 1/20 0.32
NTRK1 P04629 1/20 0.31
NTRK3 Q16288 1/20 0.31
CYP2A6 P11509 2/20 0.31
USP30 Q70CQ3 1/20 0.31
CYP2B6 P20813 1/20 0.31
HSD17B10 Q99714 2/20 0.31
HPGD P15428 1/20 0.31
BCL2L1 Q07817 1/20 0.31
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL6904193 0.84 USP30 (0.33) PDCD1CD274CHRNB2CHRNA4USP30
SCHEMBL5396601 0.84
SCHEMBL5396766 0.83
SCHEMBL5396417 0.83
SCHEMBL6329142 0.80 ALDH1A1 (0.35) ALDH1A1MAPK1CYP2A6HPGDHTR1A
SCHEMBL5694274 0.79 PDCD1 (0.37) PDCD1CD274ALDH1A1MAPK1CHRNB2
SCHEMBL7525652 0.78 PDCD1 (0.36) PDCD1CD274ALDH1A1MAPK1CHRNB2
SCHEMBL28550963 0.78 PDCD1 (0.36) PDCD1CD274ALDH1A1MAPK1CHRNB2
SCHEMBL4603520 0.78 PDCD1 (0.36) PDCD1CD274ALDH1A1MAPK1CHRNB2
SCHEMBL7030356 0.78 PDCD1 (0.36) PDCD1CD274ALDH1A1MAPK1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844357-B2 Substituted quinolin-2-one derivatives useful as antiproliferative agents PFIZER INC. (US) 2005-01-18 US disclosed
US-RE38683-E1 Preparation of titanocenes BOULDER SCIENTIFIC COMPANY (US) 2005-01-04 US disclosed
US-20030166675-A1 Substituted quinolin-2-one derivatives useful as antiproliferative agents PFIZER INC. 2003-09-04 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-20030166675-A1 Substituted quinolin-2-one derivatives useful as antiproliferative agents CCNA1, NRAS, CCNA2 PDCD1 3173/4885CD274 4200/4885ALDH1A1 1191/4885

“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.