SCHEMBL1753719

SCHEMBL1753719

O=C(O)C1CCC(C(=O)O)(c2ccccc2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.41
HDAC9 Q9UKV0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
HSD11B1 P28845 1/20 0.36
KDM4E B2RXH2 1/20 0.35
EDNRA P25101 1/20 0.34
HDAC4 P56524 1/20 0.34
ALOX15 P16050 1/20 0.34
KDM1A O60341 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33

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
SCHEMBL10107485 0.88 HDAC9 (0.37) AKR1C1HDAC9ALDH1A1HSD11B1
SCHEMBL10107462 0.88 HDAC9 (0.37) AKR1C1HDAC9ALDH1A1HSD11B1
SCHEMBL10122504 0.88 HDAC9 (0.37) AKR1C1HDAC9ALDH1A1HSD11B1
SCHEMBL10107407 0.84 HDAC9 (0.42) HDAC9LMNA
SCHEMBL10107437 0.82 HDAC9 (0.40) HDAC9LMNAHTTHDAC4KDM1A
SCHEMBL10122259 0.82 HDAC9 (0.40) HDAC9LMNAHTTHDAC4KDM1A
SCHEMBL1753359 0.82 SIGMAR1 (0.42) ALDH1A1HTT
SCHEMBL10067862 0.82 OPRM1 (0.45)
SCHEMBL1754813 0.82 OPRM1 (0.45)
SCHEMBL10107568 0.82 OPRM1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158783-B2 MTP inhibiting tetrahydro-naphthalene-1-carboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-8158783-B2 MTP inhibiting tetrahydro-naphthalene-1-carboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-8114880-B2 Piperidine or piperazine substituted tetrahydro-naphthalene-1-carboxylic acid MTP inhibiting compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-14 US disclosed
US-8114880-B2 Piperidine or piperazine substituted tetrahydro-naphthalene-1-carboxylic acid MTP inhibiting compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-14 US disclosed
US-20100016291-A1 MTP INHIBITING TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-21 US disclosed
US-20100016291-A1 MTP INHIBITING TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-21 US disclosed
US-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-31 US disclosed
US-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-31 US disclosed
US-4144027-A SHRINKPROOFING KERATIN-CONTAINING FABRICS BY REACTION WITH A POLYETHER POLYOL AND A DIISOCYANATE MILLIKEN RESEARCH CORPORATION (US) 1979-03-13 US disclosed
US-4115492-A SPINNING, COOLING, DRAWING THE DOW CHEMICAL COMPANY (US) 1978-09-19 US disclosed
US-4020230-A Microporous polyethylene hollow fibers and process of preparing them THE DOW CHEMICAL COMPANY (US) 1977-04-26 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 (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-20100016291-A1 MTP INHIBITING TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID DERIVATIVES PNLIP, APOB, MTPN AKR1C1 1536/4885HDAC9 3116/4885ALDH1A1 1724/4885
US-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS PNLIP, APOB, LIPC AKR1C1 2888/4885HDAC9 2506/4885ALDH1A1 1724/4885

“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.