SCHEMBL8841262

SCHEMBL8841262

O=C(Cl)CCC(CC(=O)Cl)C(=O)Cl

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
FOLH1 Q04609 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL8030278 0.87 TSHR (0.41) TSHRFOLH1ALDH1A1TP53
SCHEMBL1741585 0.81 TSHR (0.32) TSHR
SCHEMBL8841243 0.78 GRIK1 (0.32) TSHR
SCHEMBL98864 0.78 TSHR (0.46) TSHRALDH1A1TP53
SCHEMBL6845389 0.78 TSHR (0.36) TSHRALDH1A1TP53
SCHEMBL11526385 0.76 ALDH1A1 (0.42) TSHRALDH1A1TP53
Hydrochloric Acid SCHEMBL7722330 0.76 TSHR (0.44) TSHRALDH1A1TP53
SCHEMBL10460142 0.76 TSHR (0.50) TSHRALDH1A1TP53
SCHEMBL9888612 0.76 TSHR (0.34) TSHRALDH1A1TP53
SCHEMBL27662647 0.75 CA2 (0.48) TSHRALDH1A1TP53

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5160619-A Crosslinked polyamide NITTO DENKO CORPORATION (JP) 1992-11-03 US claimed
US-10167287-B2 Substituted pyrimidine compounds and methods of use and manufacture DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-01-01 US disclosed
US-20170260190-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-09-14 US disclosed
US-20170260190-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-09-14 US disclosed
US-9650384-B2 Substituted pyrimidine compounds and methods of use and manufacture DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2017-05-16 US disclosed
US-9650384-B2 Substituted pyrimidine compounds and methods of use and manufacture DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2017-05-16 US disclosed
WO-2016022881-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2016-02-11 WO disclosed
US-20160039830-A1 Substituted Pyrimidine Compounds and Methods of Use and Manufacture DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2016-02-11 US disclosed
US-20160039830-A1 Substituted Pyrimidine Compounds and Methods of Use and Manufacture DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2016-02-11 US disclosed
US-5616249-A USING ALL ALIPHATIC POLYAMIDES FROM POLYAMINO COMPOUNDS AND COMPOUNDS HAVING TWO OR MORE ACID HALIDE GROUPS IONICS, INCORPORATED (US) 1997-04-01 US disclosed
US-5510527-A Acid chloride NITTO DENKO CORPORATION (JP) 1996-04-23 US disclosed
US-5336409-A Composite reverse osmosis membrane and novel acid chloride NITTO DENKO CORPORATION (JP) 1994-08-09 US disclosed
EP-0556569-A2 Composite reverse osmosis membrane and novel acid chloride NITTO DENKO CORPORATION (JP) 1993-08-25 EP disclosed
US-5160619-A Crosslinked polyamide NITTO DENKO CORPORATION (JP) 1992-11-03 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-10167287-B2 Substituted pyrimidine compounds and methods of use and manufacture DHFR, FOLR1, DPYD TSHR 560/4885FOLH1 38/4885ALDH1A1 838/4885
US-20170260190-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE DHFR, FOLR1, DPYD TSHR 560/4885FOLH1 38/4885ALDH1A1 838/4885
US-20160039830-A1 Substituted Pyrimidine Compounds and Methods of Use and Manufacture DHFR, FOLR1, DPYD TSHR 560/4885FOLH1 38/4885ALDH1A1 838/4885

“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.