SCHEMBL1397335

SCHEMBL1397335

CC1(C)CCCC(C)(C)N1C(CC(=O)O)(C(=O)O)N1C(C)(C)CCCC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38
NFKB1 P19838 1/20 0.38
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
CYP2D6 P10635 1/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9054086 0.85 TDP1 (0.33) TSHRNFKB1ADRA1AALDH1A1
SCHEMBL4336152 0.82 TSHR (0.36) TSHRCYP2C19NFKB1ALDH1A1
SCHEMBL11672367 0.74 TSHR (0.35) TSHRCYP2C19NFKB1ALDH1A1
SCHEMBL25264795 0.72 TSHR (0.31) TSHRCYP2C19NFKB1
Citric Acid SCHEMBL986674 0.71 ALDH1A1 (0.52) TSHRCYP2C19NFKB1HMGCRCHRM1
Citric Acid SCHEMBL986909 0.71 ALDH1A1 (0.52) TSHRCYP2C19NFKB1HMGCRCHRM1
Citric Acid SCHEMBL986672 0.71 ALDH1A1 (0.52) TSHRCYP2C19NFKB1HMGCRCHRM1
Citric Acid SCHEMBL986910 0.71 ALDH1A1 (0.52) TSHRCYP2C19NFKB1HMGCRCHRM1
SCHEMBL11807005 0.69 TSHR (0.38) TSHRCYP2C19NFKB1CYP2D6HIF1A
SCHEMBL9972725 0.69 KDM4E (0.38) TSHRCYP2C19NFKB1HMGCRCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2978805-B1 STABILIZER COMPOSITIONS COMPRISING SALTS OF DICARBOXYLIC ACIDS AND POLYOLS BAERLOCHER GMBH (DE) 2023-11-15 EP disclosed
EP-3253735-B1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2021-03-31 EP disclosed
EP-3603685-A1 COMPOSITION FOR REPAIRING HARD TISSUE AND KIT FOR REPAIRING HARD TISSUE Mitsui Chemicals, Inc. (JP) 2020-02-05 EP disclosed
US-9994538-B2 Latent acids and their use BASF SE (DE) 2018-06-12 US disclosed
EP-2502637-B1 ADHESIVE COMPOSITION FOR SOFT TISSUE, ADHESIVE COMPOSITION FOR COVERING WOUNDS, OR WOUND COVERING AGENT COMPOSITION MITSUI CHEMICALS INC (JP) 2018-04-04 EP disclosed
EP-2502638-B1 COMPOSITION FOR HARD TISSUE REPAIR MITSUI CHEMICALS INC (JP) 2018-02-21 EP disclosed
US-20180009775-A1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2018-01-11 US disclosed
US-9752051-B2 Polyarylene polymers ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2017-09-05 US disclosed
EP-2616473-B1 MIXTURES CONTAINING PHOSPHOROUS, PROCEDURES FOR THEIR PRODUCTION AND USE CLARIANT INT LTD (CH) 2016-11-09 EP disclosed
EP-3078698-A1 POLYARYLENE POLYMERS Rohm and Haas Electronic Materials LLC (US) 2016-10-12 EP disclosed
EP-0506614-A2 Process for stabilising recycled plastic mixtures CIBA-GEIGY AG (CH) 1992-09-30 EP disclosed
EP-0502821-A1 Silylated 2-(2-hydroxyphenyl)-4,6-diaryl-1,3,5-triazine CIBA-GEIGY AG (CH) 1992-09-09 EP disclosed
EP-0500496-A1 Stabilised polymers containing heteroatoms in the main chain CIBA-GEIGY AG (CH) 1992-08-26 EP disclosed
EP-0489050-A1 ARYL ESTER AMIDE HALIDES OF PHOSPHONOUS ACID, ARYL ESTER AMIDES OF PHOSPHONOUS ACID, PROCESS FOR PREPARING THEM AND THEIR USE TO STABILIZE PLASTICS HOECHST AKTIENGESELLSCHAFT (DE) 1992-06-10 EP disclosed
EP-0485891-A2 Process for the reduction of discoloration of a polymeric moulding composition at processing temperature HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-20 EP disclosed
WO-1992004403-A1 POLYOLEFIN MOULDING MATERIAL FOR THE PRODUCTION OF CALENDERED SHEET HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-19 WO disclosed
EP-0473549-A1 Sulfoxides of alkylthiomethylphenols CIBA-GEIGY AG (CH) 1992-03-04 EP disclosed
EP-0434619-A2 Process for incorporating O-hydroxyphenyl-S-triazin into organic polymers CIBA-GEIGY AG (CH) 1991-06-26 EP disclosed
WO-1991002738-A1 ARYL ESTER AMIDE HALIDES OF PHOSPHONOUS ACID, ARYL ESTER AMIDES OF PHOSPHONOUS ACID, PROCESS FOR PREPARING THEM AND THEIR USE TO STABILIZE PLASTICS HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-07 WO disclosed
EP-0402889-A2 Polymeric polyalkyl-1-oxadiazaspirodecanes HOECHST AKTIENGESELLSCHAFT (DE) 1990-12-19 EP 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 (1 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-20180009775-A1 LATENT ACIDS AND THEIR USE LTA, C1S, C9 TSHR 3529/4885CYP2C19 657/4885NFKB1 2111/4885

“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.