SCHEMBL818596

SCHEMBL818596

CC(C)(C)c1cc(C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2OCC(=O)O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2OCC(=O)O)c(OCC(=O)O)c(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD69 Q07108 2/20 0.56
ELANE P08246 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.46
CYP2C19 P33261 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
RXRA P19793 9/20 0.40
PPARG P37231 9/20 0.40
RARG P13631 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.38
RARA P10276 3/20 0.38
RARB P10826 3/20 0.38
RXRB P28702 3/20 0.38
RXRG P48443 3/20 0.38
VCAM1 P19320 1/20 0.37

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
SCHEMBL817661 0.84 CD69 (0.40) CD69ELANESMN1; SMN2CYP2C19PTGDR2
SCHEMBL818354 0.80 KMT2A (0.52) SMN1; SMN2TSHRKMT2A
SCHEMBL15235861 0.79 CYP3A4 (0.38) SMN1; SMN2CYP2C19RXRAPPARGRARG
SCHEMBL15235863 0.73 CYP3A4 (0.35) SMN1; SMN2CYP2C19RXRAPPARGRARG
SCHEMBL5325453 0.73 CD69 (0.64) CD69ELANESMN1; SMN2CYP2C19PTGDR2
SCHEMBL15241281 0.72 MEN1 (0.34) CYP2C19RXRAPPARGRARGCYP1A2
SCHEMBL2184946 0.72 CD69 (1.00) CD69ELANESMN1; SMN2CYP2C19PTGDR2
SCHEMBL2217463 0.72 CD69 (1.00) CD69ELANESMN1; SMN2CYP2C19PTGDR2
SCHEMBL7794823 0.71 RXRA (0.41) CD69ELANECYP2C19RXRAPPARG
SCHEMBL6886563 0.71 RXRA (0.41) CD69ELANECYP2C19RXRAPPARG

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 14 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
EP-2571923-A1 DERIVATIVES OF TRIS(2-HYDROXYPHENYL)METHANE, AND PREPARATION AND USE THEREOF BASF SE (DE) 2013-03-27 EP disclosed
WO-2011144643-A1 DERIVATIVES OF TRIS(2-HYDROXYPHENYL)METHANE, AND PREPARATION AND USE THEREOF BASF SE (DE) 2011-11-24 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 CD69 3183/4885ELANE 547/4885SMN1; SMN2 3964/4885
US-20130228332-A1 DERIVATIVES OF TRIS(2-HYDROXYPHENYL)METHANES, PREPARATION THEREOF AND USE THEREOF FOR MINERAL OIL PRODUCTION HPGDS, SQLE, HSD17B4 CD69 2338/4885ELANE 1807/4885SMN1; 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.