SCHEMBL17773364

SCHEMBL17773364

Cc1cc(C#Cc2ccccc2C#Cc2ccccc2)c(C(O)C#Cc2ccccc2C#Cc2ccccc2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ RAB9A P51151 3/20 0.36
▸ FFAR1 O14842 6/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ FPR1 P21462 1/20 0.36
▸ FPR3 P25089 1/20 0.36
▸ GPR183 P32249 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
SCHEMBL17765397 0.82 PDGFRB (0.43) NPC1SMN1; SMN2MEN1ALDH1A1CYP1A2
SCHEMBL17765460 0.81 ALDH1A1 (0.44) NPC1SMN1; SMN2MEN1ALDH1A1CYP1A2
SCHEMBL17765465 0.78 FFAR1 (0.39) NPC1SMN1; SMN2MEN1ALDH1A1CYP1A2
SCHEMBL17765434 0.76 ALDH1A1 (0.46) NPC1SMN1; SMN2MEN1ALDH1A1CYP1A2
SCHEMBL17773357 0.73 APP (0.35) NPC1SMN1; SMN2MEN1ALDH1A1CYP1A2
SCHEMBL2686082 0.73 IDO1 (0.44) NPC1SMN1; SMN2MEN1ALDH1A1CYP1A2
SCHEMBL17765386 0.72 ALDH1A1 (0.42) NPC1SMN1; SMN2MEN1ALDH1A1CYP1A2
SCHEMBL9667988 0.71 IDO1 (0.41) NPC1SMN1; SMN2MEN1ALDH1A1CYP1A2
SCHEMBL1534346 0.70 DHFR (0.39) KDM4EMAPTIDO1GRM5HAO1
SCHEMBL9667703 0.69 APP (0.39) NPC1SMN1; SMN2MEN1ALDH1A1CYP1A2

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-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

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 NPC1 2671/4885SMN1; SMN2 1433/4885MEN1 2252/4885

“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