SCHEMBL18525121

SCHEMBL18525121

CCCCOc1c(F)c(C(OC)OC)c(Cl)c(C)c1C(=O)Oc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 2/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 3/20 0.33
NFKB2 Q00653 3/20 0.33
RELA Q04206 3/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL16299401 0.91 FAAH (0.36) FAAHMAPTLMNACYP1A2CYP2C9
SCHEMBL9289254 0.89 FAAH (0.37) FAAHMAPTLMNACYP1A2CYP2C9
SCHEMBL18525115 0.88 FAAH (0.37) FAAHMAPTLMNACYP1A2CYP2C9
SCHEMBL18525122 0.87 PTPN1 (0.42) LMNATSHRPOLB
SCHEMBL16299327 0.84 FAAH (0.37) FAAHMAPTLMNACYP1A2CYP2C9
SCHEMBL16299399 0.81 FAAH (0.36) FAAHMAPTLMNACYP1A2CYP2C9
SCHEMBL18372961 0.79 FAAH (0.39) FAAHMAPTLMNATSHRKMT2A
SCHEMBL17849881 0.79 FAAH (0.34) FAAHLMNATSHRKMT2ANPC1
SCHEMBL9286415 0.79 MAPT (0.39) FAAHMAPTLMNACYP1A2CYP2C9
SCHEMBL20803895 0.78 PTPN1 (0.42) MAPTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 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-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A FAAH 4449/4885MAPT 103/4885LMNA 3089/4885

“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.