SCHEMBL9253296

SCHEMBL9253296

COc1cc(CCC(C)C)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
HTR2B P41595 1/20 0.60
AOC3 Q16853 2/20 0.58
PTGS2 P35354 1/20 0.55
TUBB4A P04350 3/20 0.55
TUBB P07437 3/20 0.55
TUBA3C P0DPH7 3/20 0.55
TUBA1B P68363 3/20 0.55
TUBA4A P68366 3/20 0.55
TUBB4B P68371 3/20 0.55
TUBB3 Q13509 3/20 0.55
TUBB2A Q13885 3/20 0.55
TUBB8 Q3ZCM7 3/20 0.55
TUBA3E Q6PEY2 3/20 0.55
TUBA1A Q71U36 3/20 0.55
TUBA1C Q9BQE3 3/20 0.55
TUBB6 Q9BUF5 3/20 0.55
TUBB2B Q9BVA1 3/20 0.55
TUBB1 Q9H4B7 3/20 0.55

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
SCHEMBL10774318 0.85 TUBB4A (0.54) HTR2AHTR2CHTR2BAOC3PTGS2
SCHEMBL4464142 0.83 HTR2A (0.75) HTR2AHTR2CHTR2BAOC3PTGS2
SCHEMBL11335439 0.82 HTR2A (0.58) HTR2AHTR2CHTR2BAOC3PTGS2
SCHEMBL9967702 0.82 ALOX5 (0.60) ALOX5NFKB1NFKB2RELA
SCHEMBL11170816 0.80 NR3C1 (0.39) HTR2AHTR2CHTR2BAOC3TUBB4A
SCHEMBL27673619 0.79 HTR2A (0.59) HTR2AHTR2CHTR2BAOC3PTGS2
SCHEMBL5572443 0.79 PTGS2 (0.59) HTR2AHTR2CHTR2BAOC3PTGS2
SCHEMBL7424861 0.79 HTR2A (0.69) HTR2AHTR2CHTR2BAOC3PTGS2
SCHEMBL178400 0.78 STAT3 (0.67) AOC3CYP19A1ABCB1CA2
SCHEMBL2500546 0.77 PTGS2 (0.68) HTR2AHTR2CHTR2BAOC3PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200231596-A1 MATTER OF COMPOSITION, SYNTHESIS, FORMULATION AND APPLICATION OF FL118 PLATFORM POSITIONS 7 AND 9-DERIVED ANALOGUES FOR TREATMENT OF HUMAN DISEASE CANGET BIOTEKPHARMA 2020-07-23 US disclosed
US-5378680-A Dicarboximides and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
US-5176739-A Plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-01-05 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 (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-20200231596-A1 MATTER OF COMPOSITION, SYNTHESIS, FORMULATION AND APPLICATION OF FL118 PLATFORM POSITIONS 7 AND 9-DERIVED ANALOGUES FOR TREATMENT OF HUMAN DISEASE TP53, BRCA1, MET HTR2A 1066/4885HTR2C 1721/4885HTR2B 3508/4885

“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.