SCHEMBL1612945

SCHEMBL1612945

C[CH]c1c(C)cc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 8/20 0.41
HPGD P15428 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
FFAR4 Q5NUL3 2/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 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
SCHEMBL699401 0.78 RAPGEF4 (0.43) RAPGEF4HPGDCA1CA2MMP1
SCHEMBL699400 0.78 RAPGEF4 (0.43) RAPGEF4HPGDCA1CA2MMP1
SCHEMBL2093323 0.78 RAPGEF4 (0.43) RAPGEF4HPGDCA1CA2MMP1
Ammonia Solution, Strong SCHEMBL1984066 0.75 RAPGEF4 (0.41) RAPGEF4HPGDCA1CA2MMP1
Hydrochloric Acid SCHEMBL2972496 0.73 RAPGEF4 (0.45) RAPGEF4HPGDCA1CA2MMP1
SCHEMBL23458022 0.73 RAPGEF4 (0.39) RAPGEF4HPGDCA1CA2MMP1
SCHEMBL106587 0.73 RAPGEF4 (0.39) RAPGEF4HPGDCA1CA2MMP1
SCHEMBL79252 0.73 ERN1 (0.44) RAPGEF4HPGDCA1CA2MMP1
SCHEMBL1929437 0.73 ERN1 (0.44) RAPGEF4HPGDCA1CA2MMP1
SCHEMBL6062098 0.73 RAPGEF4 (0.39) RAPGEF4HPGDCA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1892284-B1 Liquid bleach compound MIFA AG FRENKENDORF (CH) 2009-09-30 EP claimed
EP-1892284-A1 Liquid bleach compound MIFA AG FRENKENDORF (CH) 2008-02-27 EP claimed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-9126987-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-09-08 US disclosed
EP-2091948-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-04-18 EP disclosed
US-8003169-B2 Using photoinitiators; discharging plasma ; applying to three-dimensional substrate BASF SE (DE) 2011-08-23 US disclosed
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
EP-1497338-B1 CURING OF COATINGS INDUCED BY PLASMA BASF SE (DE) 2010-09-01 EP disclosed
EP-1892284-B1 Liquid bleach compound MIFA AG FRENKENDORF (CH) 2009-09-30 EP disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 RAPGEF4 998/4885HPGD 276/4885CA1 719/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 RAPGEF4 998/4885HPGD 276/4885CA1 719/4885
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 RAPGEF4 4209/4885HPGD 2728/4885CA1 3989/4885

“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.