SCHEMBL6445972

SCHEMBL6445972

CC(C)(C)CCc1ccccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.59
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 1/20 0.46
SLC16A3 O15427 4/20 0.44
BRS3 P32247 1/20 0.43
CLCN2 P51788 1/20 0.42
HMGB1 P09429 2/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HPGD P15428 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 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
SCHEMBL27965407 0.87 FOLH1 (0.58) FOLH1ALDH1A1ALOX15TSHRSLC16A3
SCHEMBL7991923 0.85 ALDH1A1 (0.44) FOLH1ALDH1A1TSHRBRS3HTT
SCHEMBL28359199 0.84 FOLH1 (0.54) FOLH1ALDH1A1ALOX15TSHRSLC16A3
SCHEMBL28890207 0.84 AKR1C3 (0.47) FOLH1ALDH1A1TSHRKDM4E
SCHEMBL1995924 0.84 ALDH1A1 (0.42) FOLH1ALDH1A1TSHRHTTKDM4E
SCHEMBL11228089 0.83 FOLH1 (0.53) FOLH1ALDH1A1ALOX15TSHRSLC16A3
SCHEMBL70392 0.82 FOLH1 (0.76) FOLH1ALDH1A1ALOX15TSHRSLC16A3
SCHEMBL30365583 0.82 FOLH1 (0.76) FOLH1ALDH1A1ALOX15TSHRSLC16A3
SCHEMBL28362576 0.82 FOLH1 (0.51) FOLH1ALDH1A1ALOX15TSHRSLC16A3
SCHEMBL24072616 0.81 FOLH1 (0.59) FOLH1ALDH1A1ALOX15TSHRSLC16A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1088333-A4 COMPOSITIONS AND METHODS FOR INHIBITING BONE RESORPTION MERCK & CO INC (US) 2005-08-10 EP claimed
US-6699850-B2 ORAL FORMULATION OF A COMBINATION OF NITROGEN-CONTAINING BISPHOSPHONATE OR ITS SALT AND AN ISOPRENOID COMPOUND FOR INHIBITING BONE RESOPRTION IN A MAMMAL WHILE COUNTERACTING THE OCCURRENCE OF ADVERSE GASTROINTESTINAL EFFECT MERCK & CO., INC. 2004-03-02 US claimed
US-20020082244-A1 Compositions and methods for inhibiting bone resorption MERCK & CO., INC. 2002-06-27 US claimed
EP-1088333-A1 COMPOSITIONS AND METHODS FOR INHIBITING BONE RESORPTION Merck & Co., Inc. (US) 2001-04-04 EP claimed
WO-1999067809-A9 COMPOSITIONS AND METHODS FOR INHIBITING BONE RESORPTION MERCK & CO INC (US) 2001-03-22 WO claimed
WO-1999067809-A1 COMPOSITIONS AND METHODS FOR INHIBITING BONE RESORPTION MERCK & CO., INC. (US) 1999-12-29 WO claimed
EP-2414896-B1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORP (JP) 2020-11-11 EP disclosed
US-20130123215-A1 2,5-DIOXOIMIDAZOLIDIN-1-YL-3-PHENYLUREA DERIVATIVES AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-05-16 US disclosed
EP-1754999-A2 Positive resist composition and method of pattern formation with the same Fuji Photo Film Co., Ltd. (JP) 2007-02-21 EP disclosed
EP-1088333-A4 COMPOSITIONS AND METHODS FOR INHIBITING BONE RESORPTION MERCK & CO INC (US) 2005-08-10 EP disclosed
US-6699850-B2 ORAL FORMULATION OF A COMBINATION OF NITROGEN-CONTAINING BISPHOSPHONATE OR ITS SALT AND AN ISOPRENOID COMPOUND FOR INHIBITING BONE RESOPRTION IN A MAMMAL WHILE COUNTERACTING THE OCCURRENCE OF ADVERSE GASTROINTESTINAL EFFECT MERCK & CO., INC. 2004-03-02 US disclosed
US-6432931-B1 NITROGEN CONTAINING BISPHOSPHONATE COMPOUND MERCK & CO., INC. 2002-08-13 US disclosed
US-20020082244-A1 Compositions and methods for inhibiting bone resorption MERCK & CO., INC. 2002-06-27 US disclosed
EP-1088333-A1 COMPOSITIONS AND METHODS FOR INHIBITING BONE RESORPTION Merck & Co., Inc. (US) 2001-04-04 EP disclosed
WO-1999067809-A9 COMPOSITIONS AND METHODS FOR INHIBITING BONE RESORPTION MERCK & CO INC (US) 2001-03-22 WO disclosed
WO-1999067809-A1 COMPOSITIONS AND METHODS FOR INHIBITING BONE RESORPTION MERCK & CO., INC. (US) 1999-12-29 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 (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-20130123215-A1 2,5-DIOXOIMIDAZOLIDIN-1-YL-3-PHENYLUREA DERIVATIVES AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS FPR1, FPR2, FPR3 FOLH1 603/4885ALDH1A1 3811/4885ALOX15 418/4885
US-20020082244-A1 Compositions and methods for inhibiting bone resorption SOST, PTEN, ALPI FOLH1 2915/4885ALDH1A1 4552/4885ALOX15 441/4885

“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.