SCHEMBL707090

SCHEMBL707090

[CH2]O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
AOC3 Q16853 1/20 0.31
CYP3A4 P08684 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SMYD2 Q9NRG4 1/20 0.30
ABL1 P00519 1/20 0.30

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
SCHEMBL4835281 0.82 MAPK1 (0.34) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL15888456 0.81 MAPK1 (0.37) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL79874 0.81 MAPK1 (0.37) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL704188 0.79 MAPK1 (0.36) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL18924906 0.77 ALDH1A1 (0.41) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL31318429 0.77 MAPK1 (0.34) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL707572 0.77 MAPK1 (0.34) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL26964680 0.77 MAPK1 (0.34) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL19720997 0.77 MAPK1 (0.34) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL12677540 0.77 MAPK1 (0.31) MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112812133-B Alpha, alpha-difluoroallyl organometallic compound and preparation method and application thereof 南京工业大学 2022-03-11 CN claimed
CN-112812133-A Alpha, alpha-difluoroallyl organometallic compound and preparation method and application thereof 南京工业大学 2021-05-18 CN claimed
WO-2020247927-A1 NOVEL SYSTEMS, METHODS AND COMPOSITIONS FOR THE DIRECT SYNTHESIS OF STICKY ENDED POLYNUCLEOTIDES THE REGENTS OF THE UNIVERSITY OF COLORADO A BODY CORPORATE (US) 2020-12-10 WO claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-20110009607-A1 METHOD FOR PREPARING DNA FRAGMENT HAVING STICKY END THE UNIVERSITY OF TOKYO (JP) 2011-01-13 US claimed
EP-2270142-A1 METHOD OF PREPARING DNA FRAGMENT HAVING STICKY END The University of Tokyo (JP) 2011-01-05 EP claimed
EP-1594835-A4 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS INC (US) 2007-05-02 EP claimed
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses HONG BORCHERNG 2006-08-03 US claimed
EP-1594835-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES Auspex Pharmaceuticals, Inc. (US) 2005-11-16 EP claimed
EP-1273572-B9 Thiophene substituted piperazines useful in the treatment of benign prostatic hyperplasia ORTHO MCNEIL PHARM INC (US) 2005-03-02 EP claimed
EP-1273572-A1 Thiophene substituted piperazines useful in the treatment of benign prostatic hyperplasia Ortho-McNeil Pharmaceutical, Inc. (US) 2003-01-08 EP claimed
US-20020165219-A1 Novel heterocycles useful in the treatment of benign prostatic hyperplasia HUTCHINGS RICHARD H (US) 2002-11-07 US claimed
EP-0711773-B1 HYMENIALDISINE AND DERIVATIVE THEREOF, PROCESS FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING THE SAME, AND SAID INTERMEDIATE SUNTORY LTD (JP) 2001-09-12 EP claimed
EP-1025085-A1 HETEROCYCLES USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA AND INTERMEDIATES THEREOF Ortho-McNeil Pharmaceutical, Inc. (US) 2000-08-09 EP claimed
WO-1999019299-A1 HETEROCYCLES USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA AND INTERMEDIATES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-04-22 WO claimed
US-5621099-A CARDIOVASCULAR DISORDERS SUNTORY LIMITED (JP) 1997-04-15 US claimed
EP-0711773-A1 HYMENIALDISINE AND DERIVATIVE THEREOF, PROCESS FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING THE SAME, AND SAID INTERMEDIATE SUNTORY LIMITED (JP) 1996-05-15 EP claimed
EP-0188247-B1 PROCESS FOR PREPARING AZETIDINONE INTERMEDIATES FARMITALIA CARLO ERBA S.r.l. (IT) 1991-04-03 EP claimed
US-4771134-A Ring-opening process for preparing azetidinone intermediates FARMITALIA CARLO ERBA S.P.A. (IT) 1988-09-13 US claimed
EP-0188247-A1 Process for preparing azetidinone intermediates FARMITALIA CARLO ERBA S.r.l. (IT) 1986-07-23 EP claimed

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-20020165219-A1 Novel heterocycles useful in the treatment of benign prostatic hyperplasia ADRA1A, ADRB1, ADRA1D MAPK1 486/4885ALDH1A1 39/4885ALOX15 660/4885
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses LSS, DHPS, CYP51A1 MAPK1 3796/4885ALDH1A1 1435/4885ALOX15 1173/4885
US-20110009607-A1 METHOD FOR PREPARING DNA FRAGMENT HAVING STICKY END POLB, POLL, POLN MAPK1 4260/4885ALDH1A1 2795/4885ALOX15 3701/4885

“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.