SCHEMBL17970822

SCHEMBL17970822

CCCCCCCCCCc1cc2cc3cc(O)c(C)cc3cc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ PTGS2 P35354 2/20 0.35
▸ ALOX5 P09917 6/20 0.35
▸ TYR P14679 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL17970826 0.90 PTGS2 (0.33) PTGS2MAPT
SCHEMBL2367919 0.87 PTGS2 (0.36) PTGS2CYP3A4MAPTALDH1A1
SCHEMBL559602 0.87 PTGS2 (0.36) PTGS2CYP3A4MAPTALDH1A1
SCHEMBL12265773 0.87 PTGS2 (0.36) PTGS2CYP3A4MAPTALDH1A1
SCHEMBL17970675 0.84 PTGS2 (0.33) PTGS2ALOX5TYRTP53TSHR
SCHEMBL2496088 0.83 PTGS2 (0.38) PTGS2TP53CYP3A4MAPTALDH1A1
SCHEMBL13299960 0.83 PTGS2 (0.38) PTGS2TP53CYP3A4MAPTALDH1A1
SCHEMBL2469032 0.83 PTGS2 (0.38) PTGS2TP53CYP3A4MAPTALDH1A1
SCHEMBL18643477 0.82 PTGS2 (0.32) PTGS2MAPT
SCHEMBL17970676 0.77 GPR35 (0.32) PTGS2MAPT

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-20160226005-A1 FUSED POLYCYCLIC HETEROAROMATIC COMPOUND, ORGANIC THIN FILM INCLUDING COMPOUND AND ELECTRONIC DEVICE INCLUDING ORGANIC THIN FILM SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-08-04 — — 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-20160226005-A1 FUSED POLYCYCLIC HETEROAROMATIC COMPOUND, ORGANIC THIN FILM INCLUDING COMPOUND AND ELECTRONIC DEVICE INCLUDING ORGANIC THIN FILM OCIAD2, OCIAD1, BMI1 HDAC3 3138/4885HDAC4 1983/4885HDAC1 499/4885

“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.

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