SCHEMBL17982822

SCHEMBL17982822

COC(=O)c1cccc(C=C2CCC(C)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ P4HB P07237 3/20 0.46
▸ GRIN2D O15399 1/20 0.46
▸ GRIN3B O60391 1/20 0.46
▸ GRIN1 Q05586 1/20 0.46
▸ GRIN2A Q12879 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ GRIN2C Q14957 1/20 0.46
▸ GRIN3A Q8TCU5 1/20 0.46
▸ RAB9A P51151 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ SRD5A1 P18405 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.41

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
SCHEMBL2948778 0.89 TDP1 (0.53) TDP1ALDH1A1KMT2AP4HBGRIN2D
SCHEMBL17684730 0.86 TDP1 (0.51) TDP1ALDH1A1KMT2AP4HBGRIN2D
Hydrochloric Acid SCHEMBL6392671 0.81 TDP1 (0.50) TDP1ALDH1A1KMT2AP4HBGRIN2D
SCHEMBL6392680 0.79 SRD5A1 (0.50) TDP1ALDH1A1KDM4EKMT2AP4HB
SCHEMBL13503972 0.76 NPC1 (0.51) ALDH1A1KMT2ARAB9AHPGDNPC1
SCHEMBL6392515 0.74 GRM5 (0.45) TDP1KDM4EKMT2AP4HBGRIN2D
SCHEMBL11456160 0.74 P4HB (0.59) TDP1ALDH1A1KMT2AP4HBGRIN2D
SCHEMBL11222093 0.74 P4HB (0.68) TDP1ALDH1A1KMT2AP4HBGRIN2D
SCHEMBL4407110 0.74 P4HB (0.68) TDP1ALDH1A1KMT2AP4HBGRIN2D
SCHEMBL16618968 0.73 P4HB (0.57) TDP1ALDH1A1KMT2AP4HBGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949968-B2 Diarylalkylamine REV-ERB antagonists and their use as medicaments FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2018-04-24 — — US disclosed
US-9949968-B2 Diarylalkylamine REV-ERB antagonists and their use as medicaments FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2018-04-24 — — US disclosed
US-9949968-B2 Diarylalkylamine REV-ERB antagonists and their use as medicaments FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2018-04-24 — — US disclosed
EP-3055293-B1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FOND ST ITALIANO TECNOLOGIA (IT) 2017-12-06 — — EP disclosed
US-20170136009-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-05-18 — — US disclosed
US-20170136009-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-05-18 — — US disclosed
US-20170136009-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-05-18 — — US disclosed
US-9611245-B2 Diarylalkylamine REV-ERB antagonists and their use as medicaments FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-04-04 — — US disclosed
US-9611245-B2 Diarylalkylamine REV-ERB antagonists and their use as medicaments FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-04-04 — — US disclosed
US-9611245-B2 Diarylalkylamine REV-ERB antagonists and their use as medicaments FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-04-04 — — US disclosed
US-20160237057-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2016-08-18 — — US disclosed
US-20160237057-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2016-08-18 — — US disclosed
US-20160237057-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2016-08-18 — — 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 (2 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-20160237057-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS NR1D1, NR1I3, BCOR TDP1 2601/4885ALDH1A1 3689/4885KDM4E 1367/4885
US-20170136009-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS NR1D1, NR1I3, BCOR TDP1 2446/4885ALDH1A1 3707/4885KDM4E 1299/4885

“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