SCHEMBL17429645

SCHEMBL17429645

COC(=O)c1ccc(CCCc2cc(C)ccc2Br)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.35
▸ CCR6 P51684 1/20 0.35
▸ HKDC1 Q2TB90 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ HPGD P15428 3/20 0.34
▸ UCHL1 P09936 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ CXCR2 P25025 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ P4HB P07237 1/20 0.33
▸ MAPK10 P53779 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NFKB1 P19838 1/20 0.32

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
SCHEMBL17385991 0.89 UCHL1 (0.39) CCR6HKDC1HPGDUCHL1SMN1; SMN2
SCHEMBL17429652 0.87 UCHL1 (0.33) TDP1CCR6HKDC1NOTUMUCHL1
SCHEMBL17429704 0.84 UCHL1 (0.33) CCR6HKDC1NOTUMHPGDUCHL1
SCHEMBL17429651 0.84 CYP4A11 (0.38) TDP1HPGDUCHL1MAPTSMN1; SMN2
SCHEMBL17429646 0.84 CYP4A11 (0.45) MAPTSMN1; SMN2TP53ALDH1A1NPC1
SCHEMBL17400045 0.82 UCHL1 (0.33) CCR6HKDC1NOTUMUCHL1CXCR2
SCHEMBL17385776 0.81 UCHL1 (0.38) CCR6HKDC1HPGDUCHL1CXCR2
SCHEMBL17418052 0.80 UCHL1 (0.40) TDP1UCHL1MAPTCXCR2ALDH1A1
SCHEMBL18362455 0.79 CXCR2 (0.39) HPGDUCHL1MAPTCXCR2TP53
SCHEMBL16077601 0.79 CA12 (0.39) TDP1NOTUMHPGDUCHL1MAPT

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-9643946-B2 Tricyclic compound and use thereof SK CHEMICALS CO., LTD. (KR) 2017-05-09 — — US disclosed
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF SK CHEMICALS CO., LTD. (KR) 2016-01-14 — — 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 (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-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF GPR65, GPR119, GPR35 TDP1 4431/4885CCR6 473/4885HKDC1 782/4885

“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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