SCHEMBL6978504

SCHEMBL6978504

[CH2]c1cc(F)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
NQO2 P16083 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36
CYP3A4 P08684 2/20 0.34
NFE2L2 Q16236 4/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM1A O60341 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
RELA Q04206 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL168353 0.82 ALDH1A1 (0.69) ALDH1A1NQO2TAAR1CYP1A1CYP1B1
SCHEMBL41250 0.82 ALDH1A1 (0.69) ALDH1A1NQO2CYP1A1CYP1B1CYP3A4
SCHEMBL186502 0.82 ALDH1A1 (0.59) ALDH1A1NQO2TAAR1CYP1A1CYP1B1
SCHEMBL2809096 0.82 ALDH1A1 (0.59) ALDH1A1NQO2CYP1A1CYP1B1CYP3A4
SCHEMBL10548027 0.80 SMN1; SMN2 (0.49) ALDH1A1CYP3A4NFE2L2CA1CA2
Methane SCHEMBL28126699 0.79 ALDH1A1 (0.56) ALDH1A1NQO2TAAR1CYP1A1CYP1B1
SCHEMBL16961172 0.76 KAT6A (0.35) ALDH1A1FFAR4
SCHEMBL16961122 0.76 FGFR1 (0.41) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19
Magnesium Chloride Anhydrous SCHEMBL27723160 0.75 ALDH1A1 (0.58) ALDH1A1NQO2CYP1A1CYP1B1CYP3A4
SCHEMBL11885 0.73 ALDH1A1 (0.48) ALDH1A1NQO2TAAR1CYP1A1CYP1B1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 WO claimed
CN-103228643-A Benzazole derivatives as histamine H4 receptor ligands BIOPROJET SOC CIV 2013-07-31 CN claimed
US-11992012-B2 Diaminotriazine compounds BASF SE (DE) 2024-05-28 US disclosed
CN-117700456-A Arylamine photocatalyst and preparation method thereof, defluorinated mono-bridged ring propeller compound, preparation method and application thereof 国科大杭州高等研究院 2024-03-15 CN disclosed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP disclosed
US-20210186021-A1 DIAMINOTRIAZINE COMPOUNDS BASF SE (DE) 2021-06-24 US disclosed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP disclosed
EP-3242873-B1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-07-22 EP disclosed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 WO disclosed
US-10123993-B2 Cyclic ureas as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-11-13 US disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
CN-1309561-A Therapeutic agent for erectile dysfunction MOCHIDA PHARM CO LTD (JP) 2001-08-22 CN disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
CN-1284075-A Novel compounds having CGMP-PDE inhibitory effect MOCHIDA PHARM CO LTD (JP) 2001-02-14 CN disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed
EP-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 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 (3 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-20210186021-A1 DIAMINOTRIAZINE COMPOUNDS DDT, DAZAP1, DDC ALDH1A1 991/4885NQO2 110/4885TAAR1 976/4885
US-11992012-B2 Diaminotriazine compounds DDT, DAZAP1, DDC ALDH1A1 991/4885NQO2 110/4885TAAR1 976/4885
US-10123993-B2 Cyclic ureas as inhibitors of rock MYLK, ROCK1, UACA ALDH1A1 2912/4885NQO2 1164/4885TAAR1 2432/4885

“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.