SCHEMBL817162

SCHEMBL817162

Cc1cc(C(C)(C)C)cc(C(c2cc(C(C)(C)C)cc(C)c2OCCO)c2cc(C(C)(C)C)cc(C)c2OCCO)c1OCCO

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.35
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TLR4 O00206 3/20 0.34
CD14 P08571 3/20 0.34
LY96 Q9Y6Y9 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL8201459 0.86 HTR1A (0.43) HTR1ACYP3A4SMN1; SMN2TLR4CD14
SCHEMBL15235861 0.86 CYP3A4 (0.38) CYP3A4SMN1; SMN2TLR4CD14LY96
SCHEMBL15235863 0.80 CYP3A4 (0.35) HTR1ACYP3A4SMN1; SMN2TLR4CD14
SCHEMBL347042 0.75 HTR1A (0.43) HTR1ACYP3A4SMN1; SMN2ALDH1A1
SCHEMBL13130673 0.74 RXRA (0.40) CYP3A4SMN1; SMN2TLR4CD14LY96
SCHEMBL7907550 0.73 HTR1A (0.39) HTR1ACYP3A4SMN1; SMN2ALDH1A1
SCHEMBL17119054 0.72 CYP1A2 (0.44) CYP3A4ALDH1A1
SCHEMBL7908932 0.71 HTR1A (0.40) HTR1ACYP3A4SMN1; SMN2ALDH1A1
SCHEMBL17565190 0.71 HTR1A (0.34) HTR1ACYP3A4ALDH1A1
SCHEMBL7912707 0.71 HTR1A (0.38) HTR1ACYP3A4SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428432-B2 Derivatives of tris(2-hydroxyphenyl)methanes, preparation thereof and use thereof for mineral oil production BASF Wintershall Holding GmbH (DE) 2016-08-30 US disclosed
EP-2782666-B1 DERIVATIVES OF TRIS(2-HYDROXYPHENYL)METHANES, THE PRODUCTION THEREOF AND USE THEREOF FOR OIL PRODUCTION Wintershall Holding GmbH (DE) 2016-02-03 EP disclosed
US-9212545-B2 Use of tris(2-hydroxyphenyl)methane derivatives for tertiary mineral oil production Wintershall Holding GmbH (DE) 2015-12-15 US disclosed
EP-2571923-B1 DERIVATIVES OF TRIS(2-HYDROXYPHENYL)METHANE, AND PREPARATION AND USE THEREOF BASF SE (DE) 2014-12-17 EP disclosed
EP-2782666-A1 DERIVATIVES OF TRIS(2-HYDROXYPHENYL)METHANES, THE PRODUCTION THEREOF AND USE THEREOF FOR OIL PRODUCTION Wintershall Holding GmbH (DE) 2014-10-01 EP disclosed
EP-2768924-A1 USE OF TRIS(2-HYDROXYPHENYL)METHANE DERIVATIVES FOR TERTIARY PETROLEUM PRODUCTION Wintershall Holding GmbH (DE) 2014-08-27 EP disclosed
US-8618321-B2 Derivatives of tris(2-hydroxyphenyl)methane, their preparation and use BASF SE (DE) 2013-12-31 US disclosed
US-20130228332-A1 DERIVATIVES OF TRIS(2-HYDROXYPHENYL)METHANES, PREPARATION THEREOF AND USE THEREOF FOR MINERAL OIL PRODUCTION BASF Wintershall Holding GmbH 2013-09-05 US disclosed
WO-2013076006-A1 DERIVATIVES OF TRIS(2-HYDROXYPHENYL)METHANES, THE PRODUCTION THEREOF AND USE THEREOF FOR OIL PRODUCTION Wintershall Holding GmbH (DE) 2013-05-30 WO disclosed
US-20130098609-A1 USE OF TRIS(2-HYDROXYPHENYL)METHANE DERIVATIVES FOR TERTIARY MINERAL OIL PRODUCTION Wintershall Holding GmbH (DE) 2013-04-25 US disclosed
WO-2013057044-A1 USE OF TRIS(2-HYDROXYPHENYL)METHANE DERIVATIVES FOR TERTIARY PETROLEUM PRODUCTION Wintershall Holding GmbH (DE) 2013-04-25 WO disclosed
US-20110288322-A1 DERIVATIVES OF TRIS(2-HYDROXYPHENYL)METHANE, THEIR PREPARATION AND USE BASF SE (DE) 2011-11-24 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-20110288322-A1 DERIVATIVES OF TRIS(2-HYDROXYPHENYL)METHANE, THEIR PREPARATION AND USE MGMT, HPGDS, TOP2A HTR1A 967/4885CYP3A4 256/4885SMN1; SMN2 3964/4885
US-20130228332-A1 DERIVATIVES OF TRIS(2-HYDROXYPHENYL)METHANES, PREPARATION THEREOF AND USE THEREOF FOR MINERAL OIL PRODUCTION HPGDS, SQLE, HSD17B4 HTR1A 3081/4885CYP3A4 234/4885SMN1; SMN2 4817/4885

“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.