SCHEMBL5004232

SCHEMBL5004232

COc1ccc2c(c1)C(C)(C)c1cc(Br)ccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.43
BACE1 P56817 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
FLT3 P36888 1/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 2/20 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
SCHEMBL11347292 0.89 PDK2 (0.50) PDK2CA1CA2CA4CA7
SCHEMBL23371529 0.88 PDK2 (0.40) PDK2BACE1CA1CA4CA7
SCHEMBL23371609 0.88 PDK2 (0.40) PDK2BACE1CA1CA4CA7
SCHEMBL29587737 0.84 PDK2 (0.44) PDK2CA1CA2CA4CA7
SCHEMBL204806 0.84 PDK2 (0.44) PDK2CA1CA2CA4CA7
SCHEMBL29403081 0.84 PDK2 (0.44) PDK2CA1CA2CA4CA7
SCHEMBL31606157 0.83 SNCA (0.46) MEN1KMT2ATP53SMN1; SMN2MAPT
SCHEMBL23371443 0.82 MEN1 (0.37) PDK2BACE1MEN1KMT2ATP53
SCHEMBL15953222 0.82 PTPN1 (0.42) PDK2BACE1MEN1KMT2ATP53
SCHEMBL16465285 0.81 CYP3A4 (0.38) BACE1CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11563180-B2 Spirobifluorene compound and perovskite solar cell comprising same KOREA RESEARCH INSTITUTE OF CHECMICAL TECHNOLOGY (KR) 2023-01-24 US disclosed
US-20190288207-A1 SPIROBIFLUORENE COMPOUND AND PEROVSKITE SOLAR CELL COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2019-09-19 US disclosed
WO-2018088797-A1 SPIROBIFLUORENE COMPOUND AND PEROVSKITE SOLAR CELL COMPRISING SAME 한국화학연구원 2018-05-17 WO disclosed
US-8932735-B2 Aromatic amine derivative and organic electroluminescent element comprising the same IDEMITSU KOSAN CO., LTD. (JP) 2015-01-13 US disclosed
US-20120043533-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-02-23 US disclosed
US-20080119499-A1 Compositions Havinge Improved 2-Photon Absorbance For Nonlinear Applications MEMPILE INC. (DE) 2008-05-22 US disclosed
US-20080119499-A1 Compositions Havinge Improved 2-Photon Absorbance For Nonlinear Applications MEMPILE INC. (DE) 2008-05-22 US disclosed
US-20080119499-A1 Compositions Havinge Improved 2-Photon Absorbance For Nonlinear Applications MEMPILE INC. (DE) 2008-05-22 US disclosed
EP-1842097-A1 COMPOUNDS HAVING IMPROVED 2-PHOTON ABSORBANCE FOR NONLINEAR APPLICATIONS Mempile Inc. (US) 2007-10-10 EP disclosed
WO-2006075328-A1 COMPOUNDS HAVING IMPROVED 2-PHOTON ABSORBANCE FOR NONLINEAR APPLICATIONS MEMPILE INC. (US) 2006-07-20 WO 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-20120043533-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME AOC2, AOC3, H1-4 PDK2 1661/4885BACE1 1656/4885CA1 1830/4885
US-11563180-B2 Spirobifluorene compound and perovskite solar cell comprising same SLC9B2, STOM, SLC46A1 PDK2 332/4885BACE1 3143/4885CA1 3347/4885
US-20190288207-A1 SPIROBIFLUORENE COMPOUND AND PEROVSKITE SOLAR CELL COMPRISING SAME SLC9B2, STOM, SLC46A1 PDK2 332/4885BACE1 3143/4885CA1 3347/4885
US-20080119499-A1 Compositions Havinge Improved 2-Photon Absorbance For Nonlinear Applications HTR3D, CRY2, CNDP2 PDK2 1334/4885BACE1 2185/4885CA1 938/4885

“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.