SCHEMBL2605591

SCHEMBL2605591

COC(=O)c1cc(C)c(C)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.60
CA2 P00918 4/20 0.60
CA12 O43570 3/20 0.60
CA7 P43166 3/20 0.60
CA9 Q16790 3/20 0.60
CA14 Q9ULX7 3/20 0.60
KDM4E B2RXH2 4/20 0.58
GAA P10253 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
XDH P47989 2/20 0.58
LMNA P02545 2/20 0.58
POLB P06746 1/20 0.58
NFKB1 P19838 1/20 0.58
GFER P55789 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
FUT7 Q11130 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 4/20 0.54
ATM Q13315 2/20 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
SCHEMBL14448996 0.89 LMNA (0.64) CA1CA2CA12CA7CA9
SCHEMBL15958202 0.89 CA12 (0.50) CA1CA2CA12CA7CA9
SCHEMBL10832764 0.88 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL29710347 0.88 CA12 (0.48) CA1CA2CA12CA7CA9
SCHEMBL31401490 0.88 CA1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL31161744 0.88 KDM4E (0.53) CA1CA2CA12CA7CA9
SCHEMBL18969524 0.88 KMT2A (0.51) CA1CA2CA12CA7CA9
SCHEMBL14077650 0.88 KDM4E (0.52) CA1CA2CA12CA7CA9
SCHEMBL19357846 0.88 CA12 (0.48) CA1CA2CA12CA7CA9
SCHEMBL15957687 0.86 CA12 (0.47) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213016-A1 Methods for Making Functionalized Fluorinated Monomers, Fluorinated Monomers, and Compositions for Making the Same ETNA-TEC, LTD. 2022-07-07 US disclosed
US-9623046-B2 Amphiphilic Janus-dendrimers THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-04-18 US disclosed
US-9464232-B2 Compound, liquid crystal composition, polymer material, and film FUJIFILM CORPORATION (JP) 2016-10-11 US disclosed
US-9433626-B2 Pyrido[4,3-B]indole and pyrido[3,4-B]indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-9434747-B2 Methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-9383491-B2 Retardation film, polarizing plate, and liquid crystal display FUJIFILM CORPORATION (JP) 2016-07-05 US disclosed
US-20160131809-A1 PHASE DIFFERENCE FILM, POLARIZATION PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2016-05-12 US disclosed
US-20150335654-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-11-26 US disclosed
US-9193728-B2 Fused tetracyclic pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-24 US disclosed
US-9034865-B2 Pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-20100239522-A1 CHEMOTHERAPEUTIC FOR INDUCING AN MSH2-DEPENDENT APOPTOTIC PATHWAY WAKE FOREST UNIVERSITY HEALTH SCIENCES 2010-09-23 US disclosed
US-20100099041-A1 POSITIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION TORAY INDUSTRIES, INC. (JP) 2010-04-22 US disclosed
US-20090065057-A1 Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof GEORGIA TECH RESEARCH CORPORATION 2009-03-12 US disclosed
EP-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP disclosed
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 US disclosed
WO-2007000550-A2 NOVEL INDOLINE COMPOUNDS LABORATOIRES FOURNIER S.A. (FR) 2007-01-04 WO disclosed
CN-1392796-A Polyhydroxylated benzene-containing compounds ARCH DEV CORP (US) 2003-01-22 CN 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 (5 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-20220213016-A1 Methods for Making Functionalized Fluorinated Monomers, Fluorinated Monomers, and Compositions for Making the Same ALKBH3, FTO, ALK CA1 919/4885CA2 2671/4885CA12 1388/4885
US-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 CA1 4641/4885CA2 4221/4885CA12 4875/4885
US-20090065057-A1 Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof SLC9A3, SLC18A2, SLC9A2 CA1 510/4885CA2 390/4885CA12 228/4885
US-20100239522-A1 CHEMOTHERAPEUTIC FOR INDUCING AN MSH2-DEPENDENT APOPTOTIC PATHWAY MSH2, MSH6, PMS2 CA1 2277/4885CA2 3610/4885CA12 4425/4885
US-20150335654-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR3B, HTR4, HTR2C CA1 3101/4885CA2 4155/4885CA12 4474/4885

“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.