SCHEMBL22877299

SCHEMBL22877299

CCC1(C)COc2ccccc2C1C(C(=O)OC)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HTR1A P08908 2/20 0.34
HTR2B P41595 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
ABCB1 P08183 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
KMT2A Q03164 1/20 0.34
MGAM O43451 1/20 0.34
AMY1A P0DUB6 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
PSMB5 P28074 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
SCHEMBL26429440 0.70 CYP2D6 (0.40) ALDH1A1LMNAHTR2BPSMB5
SCHEMBL25854602 0.68 GAA (0.38) ALDH1A1L3MBTL1TSHRPOLBKMT2A
SCHEMBL26704688 0.68 BCHE (0.40) ALDH1A1LMNAL3MBTL1TSHRPOLB
SCHEMBL22877253 0.67 CYP3A4 (0.37) CYP3A4ALDH1A1LMNAL3MBTL1TSHR
SCHEMBL22877204 0.66 POLB (0.40) ALDH1A1LMNAPOLBGAAPSMB5
SCHEMBL22877375 0.66 POLB (0.40) ALDH1A1LMNAPOLBGAAPSMB5
SCHEMBL26429346 0.66 CYP2D6 (0.39) CYP3A4ALDH1A1HTR2BPSMB5
SCHEMBL28438106 0.66 L3MBTL1 (0.49) CYP3A4L3MBTL1TSHRPOLBKMT2A
SCHEMBL22877403 0.65 LTB4R (0.55) PSMB5
SCHEMBL26429444 0.65 ALDH1A1 (0.41) CYP3A4ALDH1A1LMNAL3MBTL1TSHR

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-11639340-B2 Substituted chromanes, analogs thereof, and methods of use and synthesis NORTHWESTERN UNIVERSITY (US) 2023-05-02 US disclosed
US-20210009547-A1 SUBSTITUTED CHROMANES, ANALOGS THEREOF, AND METHODS OF USE AND SYNTHESIS NORTHWESTERN UNIVERSITY (US) 2021-01-14 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-20210009547-A1 SUBSTITUTED CHROMANES, ANALOGS THEREOF, AND METHODS OF USE AND SYNTHESIS TYR, ME1, PNPO CYP3A4 12/4885ALDH1A1 444/4885LMNA 2033/4885
US-11639340-B2 Substituted chromanes, analogs thereof, and methods of use and synthesis TYR, ME1, PNPO CYP3A4 12/4885ALDH1A1 444/4885LMNA 2033/4885

“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.