SCHEMBL1401355

SCHEMBL1401355

CC/C(C(=O)O)=C1\CCc2cc(OC)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
GLA P06280 2/20 0.50
MPO P05164 1/20 0.47
MAPT P10636 5/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALPL P05186 1/20 0.46
CLK1 P49759 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ATM Q13315 2/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MIF P14174 2/20 0.44
CYP24A1 Q07973 3/20 0.43
NQO2 P16083 2/20 0.43
MTNR1A P48039 2/20 0.43

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
SCHEMBL1401357 1.00 KDM4E (0.50) KDM4EGLAMPOMAPTRAB9A
SCHEMBL5787405 0.92 KDM4E (0.45) KDM4EGLAMPOMAPTRAB9A
SCHEMBL5787402 0.92 KDM4E (0.45) KDM4EGLAMPOMAPTRAB9A
SCHEMBL5788483 0.82 MAOB (0.54) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5788481 0.82 MAOB (0.54) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2286745 0.81 NQO2 (0.46) KDM4EMAPTRAB9ANPC1HSD17B10
SCHEMBL2286741 0.81 NQO2 (0.46) KDM4EMAPTRAB9ANPC1HSD17B10
SCHEMBL6793599 0.77 MIF (0.52) KDM4EGLAMAPTRAB9ANPC1
SCHEMBL6793591 0.77 MIF (0.52) KDM4EGLAMAPTRAB9ANPC1
SCHEMBL12046659 0.75 KDM4E (0.50) KDM4EGLAMPOMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552203-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC (US) 2013-10-08 US disclosed
US-8541618-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC (US) 2013-09-24 US disclosed
US-20110152330-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-06-23 US disclosed
US-20110152331-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-06-23 US disclosed
US-20110065129-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-03-17 US disclosed
EP-1578715-B1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER PHARMACEUTICALS CORP (US) 2011-03-02 EP disclosed
US-7714004-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2010-05-11 US disclosed
US-7358386-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-15 US disclosed
US-20060205723-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2006-09-14 US disclosed
US-20060084680-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-20 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 (5 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-20110152331-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP KDM4E 3156/4885GLA 255/4885MPO 1381/4885
US-20060205723-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP KDM4E 3156/4885GLA 255/4885MPO 1381/4885
US-20060084680-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP KDM4E 3156/4885GLA 255/4885MPO 1381/4885
US-20110152330-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP KDM4E 3156/4885GLA 255/4885MPO 1381/4885
US-20110065129-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP KDM4E 3156/4885GLA 255/4885MPO 1381/4885

“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.