SCHEMBL18178699

SCHEMBL18178699

CCC(=O)Oc1cccc(F)c1COc1cc(Cl)c(C)cc1C(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.38
SGMS2 Q8NHU3 1/20 0.37
RAB9A P51151 1/20 0.36
PPARD Q03181 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
GUCY1B2 O75343 1/20 0.35
GUCY1A2 P33402 1/20 0.35
GUCY1A1 Q02108 1/20 0.35
GUCY1B1 Q02153 1/20 0.35
GAA P10253 1/20 0.34
ACLY P53396 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
SCHEMBL18178703 0.92 ALDH1A1 (0.36) ALDH1A1KMT2AATML3MBTL1POLB
SCHEMBL18178658 0.92 SLC22A12 (0.37) ALDH1A1MAPTSGMS2RAB9AGAA
SCHEMBL18178773 0.91 GUCY1B2 (0.37) PPARDGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178677 0.91 MRGPRX4 (0.36) ALDH1A1KMT2AATML3MBTL1POLB
SCHEMBL18178596 0.90 MRGPRX4 (0.37) PPARDGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178297 0.90 SGMS2 (0.39) ALDH1A1KMT2AATML3MBTL1POLB
SCHEMBL18178674 0.90 MRGPRX4 (0.39) ALDH1A1KMT2AL3MBTL1MAPTGAA
SCHEMBL18182447 0.90 ALDH1A1 (0.39) ALDH1A1KMT2AATML3MBTL1POLB
SCHEMBL18178639 0.89 ALDH1A1 (0.39) ALDH1A1KMT2AATML3MBTL1POLB
SCHEMBL18178653 0.89 ALDH1A1 (0.39) ALDH1A1KMT2AATML3MBTL1POLB

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-9573904-B2 Aromatic compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-21 US disclosed
US-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-10-27 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-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF ZCCHC8, CBR3, CBX8 ALDH1A1 3176/4885KMT2A 2232/4885ATM 1683/4885

“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.