SCHEMBL4602009

SCHEMBL4602009

O=C(c1ccccc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 1/20 0.54
SRD5A2 P31213 2/20 0.52
STS P08842 1/20 0.51
GAA P10253 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
EPHX2 P34913 2/20 0.50
TLR7 Q9NYK1 1/20 0.50
PPARG P37231 1/20 0.50
FAAH O00519 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
GRIN2B Q13224 1/20 0.50

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
SCHEMBL4475347 0.92 NPC1 (0.60) ELANENPC1RAB9AEPHX2TLR7
Hydrochloric Acid SCHEMBL3539826 0.90 NPC1 (0.58) ELANENPC1RAB9AEPHX2TLR7
SCHEMBL22721360 0.89 EPHX2 (0.62) NPC1RAB9AALDH1A1SRD5A2MRGPRX4
SCHEMBL24497333 0.85 ELANE (0.53) ELANEALDH1A1SRD5A2STSGAA
SCHEMBL7929195 0.85 NPC1 (0.54) NPC1RAB9AGAAEPHX2FAAH
SCHEMBL5541822 0.85 ESR1 (0.58) ELANENPC1RAB9ASRD5A2EPHX2
SCHEMBL30668192 0.84 KAT6A (0.57) ALDH1A1SRD5A2STSMRGPRX4
SCHEMBL22954042 0.84 KAT6A (0.57) ALDH1A1SRD5A2STSMRGPRX4
SCHEMBL3833768 0.83 PPARA (0.63) ELANENPC1RAB9ASRD5A2EPHX2
SCHEMBL3031192 0.83 RAB9A (0.59) NPC1RAB9ASRD5A2EPHX2TLR7

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-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YROK (US) 2023-09-19 US disclosed
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YROK (US) 2023-09-19 US disclosed
US-20210032181-A1 DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-02-04 US disclosed
EP-1924568-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-05-28 EP disclosed
EP-1915351-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-04-30 EP disclosed
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 US disclosed
WO-2007011623-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
WO-2007011618-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 US disclosed
US-4446078-A REACTING A POLYHALOALKOXY- OR POLYHALOALKYLTHIOBENZENE WITH A CARBOXYLIC DERIVATIVE, BORON TRIFLUORIDE RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-05-01 US disclosed
US-4438043-A Process for preparation of di- or trifluoromethoxyphenyl ketones or di- or trifluoromethylthiophenyl ketones RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US disclosed
US-4157344-A REACTING PHENOLS WITH A PERHALOMETHANE AND HYDROGEN FLUORIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-06-05 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 (4 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-20070015774-A1 Quinazoline derivatives useful in cancer treatment TP53, TP53BP1, ACIN1 ELANE 1019/4885NPC1 1611/4885RAB9A 719/4885
US-20210032181-A1 DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME AFF2, AFF4, AFF1 ELANE 1061/4885NPC1 569/4885RAB9A 3109/4885
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 ELANE 838/4885NPC1 1949/4885RAB9A 713/4885
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same AFF2, AFF4, AFF1 ELANE 1061/4885NPC1 569/4885RAB9A 3109/4885

“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.