SCHEMBL3708328

SCHEMBL3708328

O=C(CCc1ccc(-c2ccccc2)cc1)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
FFAR1 O14842 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MMP12 P39900 1/20 0.54
MGLL Q99685 4/20 0.53
CASP1 P29466 1/20 0.53
FAAH O00519 1/20 0.53
APP P05067 1/20 0.52
FFAR4 Q5NUL3 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL304176 0.91 TDP1 (0.78) TDP1FFAR1MAPK1L3MBTL1ALDH1A1
SCHEMBL29551630 0.91 TDP1 (0.58) TDP1FFAR1SMN1; SMN2MAPK1L3MBTL1
Ammonia Solution, Strong SCHEMBL28588274 0.90 TDP1 (0.75) TDP1FFAR1MAPK1L3MBTL1ALDH1A1
Bicarbonate SCHEMBL7699565 0.90 TDP1 (0.75) TDP1FFAR1MAPK1L3MBTL1ALDH1A1
SCHEMBL28207503 0.90 TDP1 (0.75) TDP1FFAR1MAPK1L3MBTL1ALDH1A1
SCHEMBL305392 0.88 TDP1 (0.68) TDP1FFAR1MAPK1L3MBTL1ALDH1A1
SCHEMBL5696402 0.86 TDP1 (0.53) TDP1FFAR1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL22162624 0.85 TDP1 (0.64) TDP1FFAR1MAPK1L3MBTL1ALDH1A1
SCHEMBL20824921 0.85 TDP1 (0.64) TDP1FFAR1MAPK1L3MBTL1ALDH1A1
SCHEMBL28450115 0.85 TDP1 (0.64) TDP1FFAR1MAPK1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US disclosed
US-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US disclosed
US-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US disclosed
EP-2640689-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP INHIBITORS Novartis AG (CH) 2013-09-25 EP disclosed
CN-103249715-A Substituted carbamoylcycloalkyl acetic acid derivatives as NEP inhibitors NOVARTIS AG 2013-08-14 CN disclosed
WO-2012065953-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP INHIBITORS NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 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-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP MME, REN, ECE1 TDP1 2971/4885FFAR1 453/4885SMN1; SMN2 2484/4885

“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.