SCHEMBL2476258

SCHEMBL2476258

Cc1cc(C(C)(C)C)cc(Br)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
HSD17B10 Q99714 4/20 0.58
HIF1A Q16665 3/20 0.58
ALOX15 P16050 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
ALDH1A1 P00352 3/20 0.58
ALOX12 P18054 2/20 0.58
CYP3A4 P08684 2/20 0.58
HPGD P15428 2/20 0.58
CASP1 P29466 1/20 0.58
RECQL P46063 1/20 0.58
CYP2C9 P11712 5/20 0.55
CYP2C19 P33261 5/20 0.55
CYP1A2 P05177 4/20 0.55
CYP2D6 P10635 3/20 0.55
CHEK1 O14757 1/20 0.48
DAPK3 O43293 1/20 0.48
RET P07949 1/20 0.48
PDGFRB P09619 1/20 0.48
PIM1 P11309 1/20 0.48

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
SCHEMBL727292 0.88 TSHR (0.73) TSHRHSD17B10HIF1AALOX15TDP1
SCHEMBL297739 0.86 TSHR (0.78) TSHRHSD17B10HIF1AALOX15TDP1
SCHEMBL30443132 0.86 TSHR (0.78) TSHRHSD17B10HIF1AALOX15TDP1
SCHEMBL29065615 0.86 TSHR (0.70) TSHRHSD17B10HIF1AALOX15TDP1
SCHEMBL13994267 0.84 TSHR (0.61) TSHRHSD17B10HIF1AALOX15TDP1
SCHEMBL16383381 0.84 TSHR (0.83) TSHRHSD17B10HIF1AALOX15TDP1
SCHEMBL201609 0.83 GABRA1 (0.57) HSD17B10HIF1AALOX15TDP1ALDH1A1
SCHEMBL68929 0.82 ALOX15 (0.58) TSHRHSD17B10HIF1AALOX15TDP1
SCHEMBL7969192 0.81 TSHR (0.59) TSHRHSD17B10HIF1AALOX15TDP1
SCHEMBL28119481 0.80 GABRA1 (0.55) HSD17B10HIF1AALOX15TDP1ALDH1A1

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-8507717-B2 Production of substituted phenylene aromatic diesters DOW GLOBAL TECHNOLOGIES LLC (US) 2013-08-13 US claimed
US-20100174105-A1 Production of Substituted Phenylene Aromatic Diesters W.R. GRACE & CO.-CONN. 2010-07-08 US claimed
EP-2800745-B1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORY, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2020-02-12 EP disclosed
US-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 US disclosed
US-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2014-11-27 US disclosed
US-8507717-B2 Production of substituted phenylene aromatic diesters DOW GLOBAL TECHNOLOGIES LLC (US) 2013-08-13 US disclosed
US-8507717-B2 Production of substituted phenylene aromatic diesters DOW GLOBAL TECHNOLOGIES LLC (US) 2013-08-13 US disclosed
US-8507717-B2 Production of substituted phenylene aromatic diesters DOW GLOBAL TECHNOLOGIES LLC (US) 2013-08-13 US disclosed
EP-2373604-A2 PRODUCTION OF SUBSTITUTED PHENYLENE AROMATIC DIESTERS Dow Global Technologies LLC (US) 2011-10-12 EP disclosed
WO-2010078512-A2 PRODUCTION OF SUBSTITUTED PHENYLENE AROMATIC DIESTERS DOW GLOBAL TECHNOLOGIES INC. (US) 2010-07-08 WO disclosed
WO-2010078512-A2 PRODUCTION OF SUBSTITUTED PHENYLENE AROMATIC DIESTERS DOW GLOBAL TECHNOLOGIES INC. (US) 2010-07-08 WO disclosed
US-20100174105-A1 Production of Substituted Phenylene Aromatic Diesters W.R. GRACE & CO.-CONN. 2010-07-08 US disclosed
US-20100174105-A1 Production of Substituted Phenylene Aromatic Diesters W.R. GRACE & CO.-CONN. 2010-07-08 US disclosed
US-20100174105-A1 Production of Substituted Phenylene Aromatic Diesters W.R. GRACE & CO.-CONN. 2010-07-08 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-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES RORA, RORB, RORC TSHR 152/4885HSD17B10 1823/4885HIF1A 1250/4885
US-20100174105-A1 Production of Substituted Phenylene Aromatic Diesters DDT, COMT, DDC TSHR 3690/4885HSD17B10 195/4885HIF1A 4593/4885

“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.