SCHEMBL16280202

SCHEMBL16280202

CCC(C)CC.CCC(C)CC.O=P[O-].O=P[O-].[Ca+2]

nearest known ligand 0.30

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30

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
SCHEMBL16280118 0.94 TSHR (0.30) TSHR
Zinc Ion SCHEMBL16280156 0.94 TSHR (0.30) TSHR
SCHEMBL16279710 0.94 TSHR (0.30) TSHR
SCHEMBL15939040 0.78
SCHEMBL7654 0.75
SCHEMBL7755370 0.75 TSHR (0.46) TSHR
SCHEMBL4447506 0.73
Ammonia Solution, Strong SCHEMBL3287565 0.71
Ammonia Solution, Strong SCHEMBL1899233 0.71
SCHEMBL17491167 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708538-B2 Flame protection agent compositions containing triazine intercalated metal phosphates J.M. HUBER CORPORATION (US) 2017-07-18 US claimed
US-20140361230-A1 FLAME PROTECTION AGENT COMPOSITIONS CONTAINING TRIAZINE INTERCALATED METAL PHOSPHATES J.M. HUBER CORPORATION 2014-12-11 US claimed
US-10351776-B2 Triazine-intercalated metal phosphates, compositions, and methods J.M. HUBER CORPORATION (US) 2019-07-16 US disclosed
US-20170349835-A1 Triazine-Intercalated Metal Phosphates, Compositions, and Methods HUBER CORP J M (US) 2017-12-07 US disclosed
US-9708538-B2 Flame protection agent compositions containing triazine intercalated metal phosphates J.M. HUBER CORPORATION (US) 2017-07-18 US disclosed
US-20140361230-A1 FLAME PROTECTION AGENT COMPOSITIONS CONTAINING TRIAZINE INTERCALATED METAL PHOSPHATES J.M. HUBER CORPORATION 2014-12-11 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-20140361230-A1 FLAME PROTECTION AGENT COMPOSITIONS CONTAINING TRIAZINE INTERCALATED METAL PHOSPHATES AP3M1, AFF2, AFF4 TSHR 1879/4885
US-20170349835-A1 Triazine-Intercalated Metal Phosphates, Compositions, and Methods AP3M1, IPO4, HAX1 TSHR 2548/4885
US-10351776-B2 Triazine-intercalated metal phosphates, compositions, and methods IPO4, AP3M1, PPIP5K2 TSHR 2475/4885

“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.