SCHEMBL17197486

SCHEMBL17197486

CCCCCCCCOc1ccc(-c2ccc(-c3ccc(-c4cccs4)c4nsnc34)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 5/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ LMNA P02545 2/20 0.38

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
SCHEMBL2671959 0.88 CYP2D6 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL18417228 0.87 CYP3A4 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4754949 0.83 CYP2D6 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22238939 0.83 RAB9A (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL16265233 0.80 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1102363 0.80 KCNH2 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28060318 0.80 KCNH2 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29033051 0.79 ADK (0.33) ALDH1A1KDM4EGAA
SCHEMBL2676039 0.79 NR5A1 (0.50) ALDH1A1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL22454346 0.79 NR5A1 (0.50) ALDH1A1RAB9ASMN1; SMN2KDM4EHPGD

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-20170033290-A1 FLUOROALKYLFLUORENE DERIVATIVES LOMOX LIMITED (GB) 2017-02-02 — — US disclosed
WO-2015159098-A1 FLUOROALKYLFLUORENE DERIVATIVES LOMOX LIMITED (GB) 2015-10-22 — — WO 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-20170033290-A1 FLUOROALKYLFLUORENE DERIVATIVES FLNB, AFF2, EFHD2 ALDH1A1 88/4885NPC1 469/4885RAB9A 446/4885

“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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