SCHEMBL17539977

SCHEMBL17539977

COc1ccc2c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc3c(-c3ccc(-c4ccccc4)cc3-c3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.46
▸ ACACA Q13085 1/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2E1 P05181 1/20 0.42
▸ CYP2C8 P10632 1/20 0.42

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
SCHEMBL14363733 0.82 KCNA5 (0.50) PIN1ACACASMN1; SMN2KDM4EALDH1A1
SCHEMBL13760489 0.81 GPR84 (0.46) PIN1ACACASMN1; SMN2KDM4EALDH1A1
SCHEMBL16265030 0.81 ACACA (0.53) PIN1ACACAKDM4EALDH1A1BACE1
SCHEMBL16445344 0.79 ESR1 (0.42) ACACASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL1758790 0.78 KCNA5 (0.52) PIN1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL10802577 0.78 ABL1 (0.61) ACACASMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL29416178 0.78 KCNA5 (0.52) PIN1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL12253343 0.78 CYP1A2 (0.47) PIN1ACACASMN1; SMN2KDM4EALDH1A1
SCHEMBL2620615 0.78 PIN1 (0.41) PIN1ACACASMN1; SMN2KDM4EALDH1A1
SCHEMBL17539964 0.78 ACACA (0.49) PIN1ACACASMN1; SMN2KDM4EALDH1A1

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-20160056402-A1 NOVEL COMPOUND, AND LIGHT-EMITTING DEVICE AND ELECTRONIC DEVICE INCLUDING SAME LMS CO., LTD (KR) 2016-02-25 — — US disclosed
US-20160056402-A1 NOVEL COMPOUND, AND LIGHT-EMITTING DEVICE AND ELECTRONIC DEVICE INCLUDING SAME LMS CO., LTD (KR) 2016-02-25 — — 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-20160056402-A1 NOVEL COMPOUND, AND LIGHT-EMITTING DEVICE AND ELECTRONIC DEVICE INCLUDING SAME CRY1, CRY2, PPOX PIN1 965/4885ACACA 3471/4885SMN1; SMN2 1219/4885

“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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