SCHEMBL1235846

SCHEMBL1235846

CC1=CC(C(C)(C)C)=CC1=C(C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 2/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 2/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL398096 0.66 ATM (0.35) CES2CES1TDP1
SCHEMBL28698457 0.61 POLB (0.45) CES2CES1POLBNPC1KMT2A
SCHEMBL3902058 0.61 ESR1 (0.56) CES2CES1POLBTDP1MAPT
SCHEMBL11844374 0.61 ESR1 (0.56) CES2CES1POLBTDP1MAPT
SCHEMBL1035354 0.61 ESR1 (0.56) CES2CES1POLBTDP1MAPT
SCHEMBL2274381 0.59 TDP1 (0.39) KMT2ATDP1MAPTL3MBTL1ALDH1A1
SCHEMBL23278527 0.59 ESR1 (0.61) CES2CES1MAPTL3MBTL1ALDH1A1
SCHEMBL7698518 0.58 CES1 (0.44) CES2CES1POLBTDP1MAPT
SCHEMBL1445897 0.58 CES1 (0.54) CES2CES1POLBKMT2ATDP1
SCHEMBL13897149 0.56 LMNA (0.43) CES2CES1MAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900715-B1 FLUORENE DERIVATIVE, TRANSITION METAL COMPOUND, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER MITSUI CHEMICALS INC (JP) 2015-04-22 EP disclosed
US-7879960-B2 methyl)(phenyl)methylene(3-tert-butyl-5-ethylcyclopentadienyl)(3,6-di-tert-butylfluorenyl)zirconium dichloride a metallocene], methylalumoxane, triisobutylaluminum containing catalyst system for propylene homo or copolymerization MITSUI CHEMICALS, INC. (JP) 2011-02-01 US disclosed
US-7834204-B2 Fluorene derivative, transition metal compound, catalyst for olefin polymerization, and process for producing olefin polymer MITSUI CHEMICALS, INC. (JP) 2010-11-16 US disclosed
EP-1803742-B1 PROCESS FOR PRODUCING PROPYLENE POLYMER MITSUI CHEMICALS INC (JP) 2010-06-23 EP disclosed
US-20090253876-A1 Fluorene Derivative, Transition Metal Compound, Catalyst for Olefin Polymerization, and Process for Producing Olefin Polymer MITSUI CHEMICALS, INC. 2009-10-08 US disclosed
US-20080097055-A1 Process for Producing Propylene Polymer MITSUI CHEMICALS, INC. (JP) 2008-04-24 US disclosed
EP-1900715-A1 FLUORENE DERIVATIVE, TRANSITION METAL COMPOUND, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER Mitsui Chemicals, Inc. (JP) 2008-03-19 EP disclosed
EP-1803742-A1 PROCESS FOR PRODUCING PROPYLENE POLYMER Mitsui Chemicals, Inc. (JP) 2007-07-04 EP 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-20090253876-A1 Fluorene Derivative, Transition Metal Compound, Catalyst for Olefin Polymerization, and Process for Producing Olefin Polymer AFF4, OR10J3, DRD1 CES2 3911/4885CES1 4369/4885POLB 1759/4885

“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.