SCHEMBL2398897

SCHEMBL2398897

CC(C)(C)CCCCNCCCCC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C19 P33261 3/20 0.43
CYP1A2 P05177 3/20 0.43
CA12 O43570 5/20 0.38
CA6 P23280 5/20 0.38
CA7 P43166 5/20 0.38
CA9 Q16790 5/20 0.38
CA14 Q9ULX7 5/20 0.38
CA5B Q9Y2D0 5/20 0.38
CA2 P00918 4/20 0.38
CA4 P22748 4/20 0.38
CA5A P35218 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
F13A1 P00488 2/20 0.38
ALOX15 P16050 2/20 0.38
THPO P40225 2/20 0.38
CASP2 P42575 2/20 0.38
RECQL P46063 2/20 0.38

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
SCHEMBL2399973 0.97 TSHR (0.43) TSHRALDH1A1CYP2C19CYP1A2CA12
SCHEMBL2398482 0.97 TSHR (0.43) TSHRALDH1A1CYP2C19CYP1A2CA12
SCHEMBL2397649 0.90 CYP2C19 (0.40) TSHRALDH1A1CYP2C19CYP1A2CA12
SCHEMBL13293941 0.89 TSHR (0.50) TSHRALDH1A1CYP2C19CYP1A2CA12
SCHEMBL21088215 0.88 TSHR (0.45) TSHRALDH1A1CYP2C19CYP1A2CA12
SCHEMBL19504379 0.88 CYP2C19 (0.38) TSHRALDH1A1CYP2C19CYP1A2CA12
SCHEMBL19866278 0.87 CA12 (0.59) TSHRCYP2C19CYP1A2CA12CA6
SCHEMBL19866279 0.87 CA12 (0.59) TSHRCYP2C19CYP1A2CA12CA6
SCHEMBL13602688 0.86 ALDH1A1 (0.33) TSHRALDH1A1CYP2C19CYP1A2
SCHEMBL10281215 0.86 CYP2C19 (0.57) TSHRALDH1A1CYP2C19CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114479355-A Water-resistant quaternary ammonium salt/epoxy thermosetting material and preparation method thereof 浙江工业大学 2022-05-13 CN claimed
CN-114479355-A Water-resistant quaternary ammonium salt/epoxy thermosetting material and preparation method thereof 浙江工业大学 2022-05-13 CN disclosed
US-8957212-B2 Photobase generator WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-02-17 US disclosed
EP-2368875-B1 PHOTOBASE GENERATOR WAKO PURE CHEM IND LTD (JP) 2014-09-03 EP disclosed
US-20110233048-A1 PHOTOBASE GENERATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2011-09-29 US disclosed
EP-2368875-A1 PHOTOBASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2011-09-28 EP disclosed
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus MITSUI CHEMICALS, INC. (JP) 2006-04-27 US disclosed
EP-1484191-A1 REWRITABLE OPTICAL INFORMATION RECORDING MEDIUM AND RECORDING/REPRODUCING METHOD, RECORDING/REPRODUCING DEVICE Sony Corporation (JP) 2004-12-08 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-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus ALPG, TRPC6, GNRHR TSHR 1237/4885ALDH1A1 2071/4885CYP2C19 2583/4885
US-20110233048-A1 PHOTOBASE GENERATOR CYBA, CRY1, GNB1 TSHR 3162/4885ALDH1A1 503/4885CYP2C19 588/4885

“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.