SCHEMBL1743527

SCHEMBL1743527

CC(C)(C)CC(C)(C)c1cc(C(C)(C)c2ccccc2)cc(-c2ccccc2-c2c[nH]nn2)c1O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
ESR2 Q92731 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL1743018 0.92 SHBG (0.31)
SCHEMBL1133782 0.89 ESR1 (0.36) ALDH1A1ESR1CYP3A4ESR2CNR1
SCHEMBL28717515 0.83 IDH1 (0.34) ALDH1A1CYP3A4
SCHEMBL2051851 0.81 MAPK1 (0.37) ALDH1A1
SCHEMBL5806307 0.79 SHBG (0.33) CNR1CNR2
SCHEMBL3220777 0.78 HSP90AA1 (0.44) CYP3A4
SCHEMBL244729 0.78 CYP3A4 (0.40) ALDH1A1ESR1CYP3A4CNR1CNR2
SCHEMBL25039125 0.74 HSP90AA1 (0.39) ALDH1A1CYP3A4
SCHEMBL22320286 0.72 ESR1 (0.39) ALDH1A1ESR1CYP3A4ESR2CNR1
SCHEMBL10434421 0.72 RAB9A (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609807-B2 Method of producing low-dust granules from polymer additives BASF SE (DE) 2013-12-17 US disclosed
US-8505237-B2 Process for enhancing plant growth BASF SE (DE) 2013-08-13 US disclosed
US-20110294385-A1 ORGANIC BLACK PIGMENTS AND THEIR PREPARATION BASF SE (DE) 2011-12-01 US disclosed
EP-2387600-A2 ORGANIC BLACK PIGMENTS AND THEIR PREPARATION BASF SE (DE) 2011-11-23 EP disclosed
US-20110254954-A1 APPARATUS AND METHOD FOR AUTOMATICALLY ADJUSTING POSITIONS OF MICROPHONE HON HAI PRECISION INDUSTRY CO., LTD. (TW) 2011-10-20 US disclosed
US-20100186294-A1 Process for enhancing plant growth BASF SE (DE) 2010-07-29 US disclosed
WO-2010081625-A2 ORGANIC BLACK PIGMENTS AND THEIR PREPARATION BASF SE (DE) 2010-07-22 WO disclosed
US-20090194617-A1 Method of producing low-dust granules from polymer additives CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2009-08-06 US disclosed
EP-2013279-A1 DERIVATIVES OF PYRIMIDINES AS FLAME RETARDANTS Ciba Holding Inc. (CH) 2009-01-14 EP disclosed
WO-2008055832-A2 PROCESS USING LIQUID PHENOLIC ANTIOXIDANTS CIBA HOLDING INC. (CH) 2008-05-15 WO disclosed
WO-2007128678-A1 DERIVATIVES OF PYRIMIDINES AS FLAME RETARDANTS CIBA HOLDING INC. (CH) 2007-11-15 WO disclosed
US-20070228343-A1 Flame Retardants CIBA SPECIALTY CHEMICALS CORP. 2007-10-04 US disclosed
EP-1563004-A1 FLAME RETARDANT COMPOSITION COMPRISING A PHOSPHONIC ACID METAL SALT AND A NITROGEN-CONTAINING COMPOUND Ciba SC Holding AG (CH) 2005-08-17 EP disclosed
WO-2004046235-A1 FLAME RETARDANT COMPOSITION COMPRISING A PHOSPHONIC ACID METAL SALT AND A NITROGEN-CONTAINING COMPOUND CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-06-03 WO disclosed
EP-1392779-A1 FLUORINATED-PHOTOINITIATORS IN DUAL CURE RESINS Ciba SC Holding AG (CH) 2004-03-03 EP disclosed
WO-2002040602-A1 FLUORINATED-PHOTOINITIATORS IN DUAL CURE RESINS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-05-23 WO 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-20110294385-A1 ORGANIC BLACK PIGMENTS AND THEIR PREPARATION IK, CRY1, PAH ALDH1A1 803/4885ESR1 4271/4885CYP3A4 44/4885

“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.