SCHEMBL26328667

SCHEMBL26328667

CC12COC(COCc3ccccc3)(OC1)OC2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 3/20 0.37
HTR2B P41595 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
IDO1 P14902 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
LMNA P02545 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL7689385 0.84 ALDH1A1 (0.47) TACR1TSHRALDH1A1TAAR1
SCHEMBL754280 0.81 TSHR (0.50) TACR1TSHRALDH1A1IDO1TAAR1
SCHEMBL10930321 0.78 TSHR (0.47) TACR1TSHRALDH1A1IDO1TAAR1
SCHEMBL10371092 0.77 TSHR (0.54) TACR1TSHRALDH1A1IDO1TAAR1
SCHEMBL5575731 0.77 TSHR (0.45) TACR1TSHRALDH1A1HTR2BTMEM97
SCHEMBL5555166 0.77 TSHR (0.45) TACR1TSHRALDH1A1HTR2BTMEM97
SCHEMBL5423335 0.76 TSHR (0.48) TACR1TSHRALDH1A1IDO1TAAR1
SCHEMBL711818 0.76 TSHR (0.48) TACR1TSHRALDH1A1IDO1TAAR1
SCHEMBL27620254 0.75 TSHR (0.47) TACR1TSHRALDH1A1IDO1TAAR1
SCHEMBL24933884 0.73 TSHR (0.45) TACR1TSHRALDH1A1IDO1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 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 (1 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-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 TACR1 4246/4885TSHR 1185/4885ALDH1A1 874/4885

“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.