SCHEMBL17765427

SCHEMBL17765427

COc1ccc(C#CC(OC)c2ccccc2C#Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.41
▸ MMP2 P08253 4/20 0.41
▸ MMP3 P08254 3/20 0.41
▸ MMP13 P45452 3/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ SLC16A3 O15427 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ FFAR1 O14842 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PTGES O14684 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL17765393 1.00 APP (0.41) APPMMP2MMP3MMP13MMP1
SCHEMBL17765411 0.91 MAPT (0.42) APPMMP2MMP3MMP13MMP1
SCHEMBL17765410 0.89 FFAR1 (0.41) FFAR1ACACB
SCHEMBL17773363 0.87 MAPT (0.41) APPMMP2KCNH2MEN1NPC1
SCHEMBL17765433 0.86 NPC1 (0.36) APPMMP2KCNH2MEN1NPC1
SCHEMBL17765420 0.86 DHFR (0.40) APPMMP2MMP3MMP13MMP1
SCHEMBL17765455 0.86 TSHR (0.39) APPMEN1NPC1KMT2ARAB9A
SCHEMBL17773358 0.85 ASIC3 (0.40) SLC16A3MEN1NPC1KMT2AFFAR1
SCHEMBL17777988 0.84 MAPT (0.41) APPMMP2KCNH2MEN1NPC1
SCHEMBL17765414 0.83 PTGES (0.36) APPMEN1NPC1KMT2AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676679-B2 Traceless directing groups in radical cascades: from oligoalkynes to fused helicenes without tethered initators The Florida State University Research Foundation, Inc. (US) 2017-06-13 — — US disclosed
US-9676679-B2 Traceless directing groups in radical cascades: from oligoalkynes to fused helicenes without tethered initators The Florida State University Research Foundation, Inc. (US) 2017-06-13 — — US disclosed
US-9676679-B2 Traceless directing groups in radical cascades: from oligoalkynes to fused helicenes without tethered initators The Florida State University Research Foundation, Inc. (US) 2017-06-13 — — US disclosed
US-20160145276-A1 TRACELESS DIRECTING GROUPS IN RADICAL CASCADES: FROM OLIGOALKYNES TO FUSED HELICENES WITHOUT TETHERED INITATORS The Florida State University Research Foundation, Inc 2016-05-26 — — US disclosed
US-20160145276-A1 TRACELESS DIRECTING GROUPS IN RADICAL CASCADES: FROM OLIGOALKYNES TO FUSED HELICENES WITHOUT TETHERED INITATORS The Florida State University Research Foundation, Inc 2016-05-26 — — US disclosed
US-20160145276-A1 TRACELESS DIRECTING GROUPS IN RADICAL CASCADES: FROM OLIGOALKYNES TO FUSED HELICENES WITHOUT TETHERED INITATORS The Florida State University Research Foundation, Inc 2016-05-26 — — 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-20160145276-A1 TRACELESS DIRECTING GROUPS IN RADICAL CASCADES: FROM OLIGOALKYNES TO FUSED HELICENES WITHOUT TETHERED INITATORS OR51E2, OR10J3, ORC3 APP 3094/4885MMP2 4120/4885MMP3 1895/4885

“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.

Send feedback