SCHEMBL6014553

SCHEMBL6014553

CCOP(=O)(OCC)OC(C)N

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
METAP1 P53582 1/20 0.34
PPARD Q03181 2/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL30956369 0.83 TSHR (0.57) TSHRTDP1TP53PPARDMEN1
SCHEMBL11395405 0.81 TSHR (0.40) TSHRTP53METAP1
SCHEMBL86164 0.80 TSHR (0.60) TSHRTDP1TP53PPARDMEN1
SCHEMBL28201243 0.79 TSHR (0.52) TSHRTDP1TP53PPARDMEN1
SCHEMBL1986552 0.79 CTSA (0.36) METAP1
SCHEMBL11153181 0.77 TSHR (0.58) TSHRTDP1TP53METAP1PPARD
SCHEMBL8922103 0.76 TSHR (0.55) TSHRTDP1TP53PPARDMEN1
SCHEMBL5908843 0.76 TSHR (0.55) TSHRTDP1TP53PPARDMEN1
SCHEMBL6895576 0.76 TSHR (0.55) TSHRTDP1TP53PPARDMEN1
SCHEMBL6896826 0.76 TSHR (0.55) TSHRTDP1TP53PPARDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109517470-B Water-based ultrathin fireproof coating and preparation method thereof 中建西部建设股份有限公司 2021-07-02 CN claimed
CN-104119381-B A kind of preparation method of fotemustine SINOPHARM YIXIN PHARMACEUTICAL CO., LTD. (CN) 2016-04-27 CN claimed
CN-104119381-A Preparation method of fotemustine SINOPHARM A THINK PHARMACEUTICAL CO LTD 2014-10-29 CN claimed
EP-0914390-B1 INTUMESCENT COMPOSITION AND METHOD GEORGIA PACIFIC RESINS (US) 2000-09-20 EP claimed
CN-109517470-B Water-based ultrathin fireproof coating and preparation method thereof 中建西部建设股份有限公司 2021-07-02 CN disclosed
CN-106146367-A Allyl sulfenyl amino 1,4-benzoquinone compounds, its preparation and application 北京大学 2016-11-23 CN disclosed
CN-104119381-B A kind of preparation method of fotemustine SINOPHARM YIXIN PHARMACEUTICAL CO., LTD. (CN) 2016-04-27 CN disclosed
CN-104119381-B A kind of preparation method of fotemustine SINOPHARM YIXIN PHARMACEUTICAL CO., LTD. (CN) 2016-04-27 CN disclosed
CN-104119381-A Preparation method of fotemustine SINOPHARM A THINK PHARMACEUTICAL CO LTD 2014-10-29 CN disclosed
US-7078406-B2 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. (US) 2006-07-18 US disclosed
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes Life Technologies Corporation 2004-12-09 US disclosed
US-6815445-B2 FOR USE AS FLUORESCENCE DYES AND PROBES Life Technologies Corporation 2004-11-09 US disclosed
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 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 (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-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 TSHR 4569/4885TDP1 554/4885TP53 3505/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 TSHR 4569/4885TDP1 554/4885TP53 3505/4885

“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.