SCHEMBL711981

SCHEMBL711981

COC(=O)CCCCCN(C)C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
KDM4A O75164 11/20 0.52
KDM4C Q9H3R0 11/20 0.52
KDM5A P29375 2/20 0.52
DNM1 Q05193 1/20 0.52
KDM7A Q6ZMT4 1/20 0.52
PHF8 Q9UPP1 1/20 0.52
KDM2A Q9Y2K7 1/20 0.52

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
SCHEMBL18556504 1.00 TSHR (0.58) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL10084980 0.98 TSHR (0.61) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL713902 0.91 TSHR (0.64) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL25181649 0.90 TSHR (0.52) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL16644552 0.89 DNM1 (0.60) TSHRMEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL1671482 0.89 MEN1 (0.61) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL18499076 0.87 KMT2A (0.65) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL15155313 0.85 TSHR (0.42) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL15155984 0.85 TSHR (0.42) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL15155559 0.85 TSHR (0.42) TSHRMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3608308-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS Novartis AG (CH) 2020-02-12 EP disclosed
US-8436138-B2 Binder for C-reactive protein MODPRO AB (SE) 2013-05-07 US disclosed
US-8436138-B2 Binder for C-reactive protein MODPRO AB (SE) 2013-05-07 US disclosed
US-20120053124-A1 BINDER FOR C-REACTIVE PROTEIN MODPRO AB (SE) 2012-03-01 US disclosed
US-20120053124-A1 BINDER FOR C-REACTIVE PROTEIN MODPRO AB (SE) 2012-03-01 US disclosed
US-8017347-B2 Binder for C-reactive protein MODPRO AB (SE) 2011-09-13 US disclosed
US-8017347-B2 Binder for C-reactive protein MODPRO AB (SE) 2011-09-13 US disclosed
US-20090305298-A1 Binder for C-Reactive Protein MODPRO AB (SE) 2009-12-10 US disclosed
US-20090305298-A1 Binder for C-Reactive Protein MODPRO AB (SE) 2009-12-10 US disclosed
EP-2007801-A1 BINDER FOR C-REACTIVE PROTEIN Modpro AB (SE) 2008-12-31 EP disclosed
US-5580481-A Aqueous fabric softener composition, novel quaternary ammonium salt, and process for the preparation of said salt KAO CORPORATION (JP) 1996-12-03 US disclosed
US-5476597-A Storage stability, elasticity KAO CORPORATION (JP) 1995-12-19 US disclosed
EP-0643128-A1 Aqueous fabric softener composition, novel quaternary ammonium salt, and process for the preparation of said salt Kao Corporation (JP) 1995-03-15 EP disclosed
EP-0014402-B1 NOVEL 20-0-ACYLMAYTANSINOIDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Chemical Industries, Ltd. (JP) 1983-07-20 EP disclosed
US-4361650-A BACILLUS, STREPTOMYCES OR ACTINOMYCES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-11-30 US disclosed
EP-0004466-B1 DEMETHYL MAYTANSINOIDS AND METHODS FOR PRODUCING THEM Takeda Chemical Industries, Ltd. (JP) 1982-01-27 EP disclosed
US-4307016-A FUNGICIDES, PROTOZOACIDES OR ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-22 US disclosed
US-4294757-A BLEACHING CELLULOSE FIBERS AND ADDITION OF ALKALI METAL POLYPHOSPHATES AND ALKALI METAL DIETHYLENETRIAMINE PENTA(METHYLENE PHOSPHONAT) TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1981-10-13 US disclosed
EP-0014402-A1 Novel 20-0-acylmaytansinoids, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-08-20 EP disclosed
EP-0004466-A1 Demethyl maytansinoids and methods for producing them Takeda Chemical Industries, Ltd. (JP) 1979-10-03 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 (2 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-20090305298-A1 Binder for C-Reactive Protein C1QBP, RBP1, MYCBP TSHR 3024/4885MEN1 3683/4885KMT2A 2792/4885
US-20120053124-A1 BINDER FOR C-REACTIVE PROTEIN C1QBP, RBP1, MYCBP TSHR 3024/4885MEN1 3683/4885KMT2A 2792/4885

“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.