SCHEMBL3658802

SCHEMBL3658802

CC(C)CC(C(=O)O)c1cc(Cl)c(O)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
APP P05067 2/20 0.40
GRN P28799 3/20 0.35
SORT1 Q99523 3/20 0.35
AKR1C2 P52895 2/20 0.35
AKR1C1 Q04828 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3659623 0.83 FOLH1 (0.40) FOLH1CYP2C9ALOX15SMN1; SMN2HSD17B10
SCHEMBL3663134 0.78 FOLH1 (0.40) FOLH1PSEN1PSEN2APH1BNCSTN
SCHEMBL3658454 0.76 FOLH1 (0.54) FOLH1PSEN1PSEN2APH1BNCSTN
SCHEMBL8033396 0.75 APP (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11142489 0.73 HSD17B10 (0.46) CYP1A2CYP2C9ALOX15ALOX12CYP2C19
SCHEMBL8376286 0.73 HSD17B10 (0.42) CYP1A2CYP2C9ALOX15ALOX12CYP2C19
SCHEMBL10798549 0.70 CYP2C19 (0.39) FOLH1CYP1A2CYP2C9ALOX15ALOX12
SCHEMBL28645472 0.70 FOLH1 (0.42) FOLH1PSEN1PSEN2APH1BNCSTN
SCHEMBL1596630 0.69 HSD17B10 (0.70) CYP1A2CYP2C9ALOX15ALOX12CYP2C19
SCHEMBL30343466 0.69 HSD17B10 (0.70) CYP1A2CYP2C9ALOX15ALOX12CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234954-B1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS INC (US) 2015-02-18 EP disclosed
US-20140364641-A1 Tetrasubstituted Benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2014-12-11 US disclosed
US-8664249-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
WO-2013106328-A1 TETRASUBSTITUTED BENZENES FOR TREATMENT OF EARLY ONSET ALZHEIMER'S DISEASE ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-18 WO disclosed
US-20130165486-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-8367863-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20120295981-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2012-11-22 US disclosed
US-8217064-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2012-07-10 US disclosed
CN-101945848-A Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS INC 2011-01-12 CN disclosed
EP-2234954-A1 TETRASUBSTITUTED BENZENES Envivo Pharmaceuticals, Inc. (US) 2010-10-06 EP disclosed
US-20090299072-A1 Tetrasubstituted Benzenes EN VIVO PHARMACEUTICALS, INC. 2009-12-03 US disclosed
WO-2009086277-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-07-09 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 (4 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-20140364641-A1 Tetrasubstituted Benzenes BACE1, BACE2, PSEN1 FOLH1 2187/4885PSEN1 3/4885PSEN2 4/4885
US-20090299072-A1 Tetrasubstituted Benzenes BACE1, BACE2, PSEN1 FOLH1 2187/4885PSEN1 3/4885PSEN2 4/4885
US-20120295981-A1 TETRASUBSTITUTED BENZENES BACE1, BACE2, PSEN1 FOLH1 2187/4885PSEN1 3/4885PSEN2 4/4885
US-20130165486-A1 TETRASUBSTITUTED BENZENES BACE1, BACE2, PSEN1 FOLH1 2187/4885PSEN1 3/4885PSEN2 4/4885

“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.