SCHEMBL16516504

SCHEMBL16516504

O=C(O)C=Cc1ccc(OCc2cccc3ccccc23)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 2/20 0.53
▸ PTGDR Q13258 2/20 0.53
▸ PARP10 Q53GL7 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ FFAR1 O14842 1/20 0.52
▸ AKR1B1 P15121 1/20 0.52
▸ PARP15 Q460N3 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ LMNA P02545 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ SPHK2 Q9NRA0 1/20 0.48
▸ SPHK1 Q9NYA1 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ TBXA2R P21731 1/20 0.45

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
SCHEMBL16516503 1.00 PTGER3 (0.53) PTGER3PTGDRPARP10NPC1RAB9A
SCHEMBL30106325 0.85 PARP10 (0.48) PARP10NPC1RAB9AFFAR1AKR1B1
SCHEMBL16516225 0.81 ALDH1A1 (0.64) PTGER3PTGDRKDM4EALDH1A1PKM
SCHEMBL16516226 0.81 ALDH1A1 (0.64) PTGER3PTGDRKDM4EALDH1A1PKM
SCHEMBL15249111 0.76 NPC1 (0.63) PARP10NPC1RAB9AFFAR1AKR1B1
SCHEMBL16516663 0.75 PARP10 (0.60) PARP10NPC1RAB9APARP15MEN1
SCHEMBL15249114 0.74 MEN1 (0.56) PARP10NPC1RAB9AFFAR1AKR1B1
SCHEMBL15249123 0.73 NPC1 (0.64) PARP10NPC1RAB9AFFAR1AKR1B1
SCHEMBL7911237 0.73 PARP10 (0.64) PARP10NPC1RAB9AFFAR1AKR1B1
SCHEMBL7222374 0.73 NR4A2 (0.68) PARP10NPC1RAB9AFFAR1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190322617-A1 HDAC8 INHIBITORS FOR TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-10-24 — — US disclosed
US-10308596-B2 HDAC8 inhibitors for treating cancer CITY OF HOPE (US) 2019-06-04 — — US disclosed
US-20170050922-A2 HDAC8 INHIBITORS FOR TREATING CANCER CITY OF HOPE 2017-02-23 — — US disclosed
EP-3035924-A2 HDAC8 INHIBITORS FOR TREATING CANCER City of Hope (US) 2016-06-29 — — EP disclosed
WO-2015026935-A2 HDAC8 INHIBITORS FOR TREATING CANCER CITY OF HOPE (US) 2015-02-26 — — 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 (3 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-20170050922-A2 HDAC8 INHIBITORS FOR TREATING CANCER HDAC8, HDAC1, HDAC7 PTGER3 4704/4885PTGDR 4748/4885PARP10 1020/4885
US-10308596-B2 HDAC8 inhibitors for treating cancer HDAC8, HDAC1, HDAC7 PTGER3 4704/4885PTGDR 4748/4885PARP10 1020/4885
US-20190322617-A1 HDAC8 INHIBITORS FOR TREATING CANCER HDAC8, HDAC1, HDAC7 PTGER3 4704/4885PTGDR 4748/4885PARP10 1020/4885

“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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