SCHEMBL16610041

SCHEMBL16610041

COc1cc(CO[Si](C)(C)C(C)(C)C)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.53
TAAR1 Q96RJ0 2/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
SHBG P04278 2/20 0.51
NOS2 P35228 1/20 0.51
FOS P01100 1/20 0.50
TTR P02766 1/20 0.50
JUN P05412 1/20 0.50
NR3C1 P04150 1/20 0.50
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
LMNA P02545 1/20 0.50
GLA P06280 1/20 0.50
CALM1 P0DP23 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 2/20 0.49
ALOX5 P09917 2/20 0.49
GAA P10253 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL31371260 0.88 TUBB1 (0.51) TSHRLMNACYP3A4GAANFKB1
SCHEMBL19750509 0.83 MET (0.42) LMNAALDH1A1ALOX5GAAALOX15
SCHEMBL8126304 0.82 PDCD1 (0.40) PTPN1SHBGNOS2ALDH1A1
SCHEMBL22398472 0.82 MAOB (0.43) MAPK1TDP1MAOB
SCHEMBL2497156 0.82 DRD2 (0.39) MAPK1SHBGLMNAALDH1A1GAA
SCHEMBL358600 0.82 ALDH1A1 (0.56) TSHRALDH1A1CYP3A4GAATDP1
SCHEMBL30168383 0.82 ALDH1A1 (0.56) TSHRALDH1A1CYP3A4GAATDP1
SCHEMBL18310146 0.80 DRD2 (0.41) MAPK1LMNAALDH1A1CYP3A4ALOX5
SCHEMBL12191689 0.80 CRHBP (0.41) MAPK1ALDH1A1GAAMAOB
SCHEMBL16599423 0.80 THRB (0.35) TSHRMAPK1LMNAAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3049386-B9 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-11-18 EP disclosed
EP-3049386-B9 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-11-18 EP disclosed
US-10793509-B2 Compounds useful in the treatment of neoplastic diseases UNIVERSITÄT ZU KOLN (DE) 2020-10-06 US disclosed
US-10793509-B2 Compounds useful in the treatment of neoplastic diseases UNIVERSITÄT ZU KOLN (DE) 2020-10-06 US disclosed
EP-3049386-B1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-07-22 EP disclosed
EP-3049386-B1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-07-22 EP disclosed
US-20160237023-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIVERSITÄT ZU KÖLN (DE) 2016-08-18 US disclosed
US-20160237023-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIVERSITÄT ZU KÖLN (DE) 2016-08-18 US disclosed
US-20160237023-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIVERSITÄT ZU KÖLN (DE) 2016-08-18 US disclosed
WO-2015044177-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIVERSITÄT ZU KÖLN (DE) 2015-04-02 WO 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-20160237023-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES APC, BRCA1, VHL PTPN1 3436/4885TAAR1 4642/4885TSHR 4125/4885
US-10793509-B2 Compounds useful in the treatment of neoplastic diseases APC, BRCA1, VHL PTPN1 3436/4885TAAR1 4642/4885TSHR 4125/4885

“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.