SCHEMBL5238701

SCHEMBL5238701

Brc1ccc(CCCc2ccc(Br)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.62
HTR2A P28223 2/20 0.62
CYP2A6 P11509 1/20 0.50
HMOX1 P09601 1/20 0.47
IDO1 P14902 2/20 0.46
SIGMAR1 Q99720 1/20 0.44
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42

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
SCHEMBL7904900 0.94 TAAR1 (0.62) TAAR1HTR2ACYP2A6HMOX1IDO1
SCHEMBL134452 0.91 TAAR1 (0.59) TAAR1HTR2ACYP2A6HMOX1IDO1
SCHEMBL15583726 0.91 TAAR1 (0.59) TAAR1HTR2ACYP2A6HMOX1IDO1
SCHEMBL36255 0.89 HTR2A (0.60) TAAR1HTR2ASIGMAR1PLAAT3PLAAT5
SCHEMBL626076 0.87 TAAR1 (0.68) TAAR1HTR2ACYP2A6IDO1MAPK1
SCHEMBL80599 0.86 TAAR1 (0.54) TAAR1HTR2ACYP2A6HMOX1IDO1
SCHEMBL23653956 0.84 TAAR1 (0.52) TAAR1HTR2ACYP2A6HMOX1IDO1
SCHEMBL1005011 0.84 TAAR1 (0.52) TAAR1HTR2ACYP2A6HMOX1IDO1
SCHEMBL5515 0.84 TAAR1 (0.52) TAAR1HTR2AHMOX1SIGMAR1PLAAT3
SCHEMBL18857012 0.84 TAAR1 (0.52) TAAR1HTR2ACYP2A6HMOX1IDO1

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
CN-118852227-A Organic compound containing flexible chain, organic photoelectric element containing same and application 上海蓝屏医疗科技有限公司 2024-10-29 CN disclosed
CN-117682978-A Organic compound and application thereof, organic electroluminescent device and electronic device 广东聚华印刷显示技术有限公司 2024-03-12 CN disclosed
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 US disclosed
CN-115093323-B Beta-functionalized chiral homoallylic alcohol derivative and preparation method and application thereof 武汉大学 2023-12-22 CN disclosed
WO-2019101835-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-05-31 WO disclosed
WO-2019101833-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-05-31 WO disclosed
EP-1298176-B1 Stacked film insulating film and substrate for semiconductor JSR CORP (JP) 2007-01-03 EP disclosed
US-6824833-B2 STACKED DIELECTRIC JSR CORPORATION (JP) 2004-11-30 US disclosed
US-20030077461-A1 Stacked film, insulating film and substrate for semiconductor JSR CORPORATION (JP) 2003-04-24 US disclosed
EP-1298176-A2 Stacked film insulating film and substrate for semiconductor JSR Corporation (JP) 2003-04-02 EP disclosed
EP-0328643-B1 (alpha)-HYDROPEROXYISOPROPYLPHENYL COMPOUNDS AND PROCESS FOR THEIR PREPARATION TERUMO CORP (JP) 1994-07-06 EP disclosed
US-5043142-A Measuring peroxide-active substances TERUMO KABUSHIKI KAISHA (JP) 1991-08-27 US disclosed
EP-0328643-A1 (alpha)-HYDROPEROXYISOPROPYLPHENYL COMPOUNDS AND PROCESS FOR THEIR PREPARATION TERUMO KABUSHIKI KAISHA (JP) 1989-08-23 EP disclosed
US-4131748-A P-Terphenylene-dicarboxylic acids and their synthesis THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1978-12-26 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 (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-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE ERG28, CYP51A1, MANBA TAAR1 4267/4885HTR2A 4100/4885CYP2A6 223/4885

“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.