SCHEMBL7669357

SCHEMBL7669357

NCCOc1ccccc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
KMT2A Q03164 3/20 0.71
PTK2B Q14289 1/20 0.71
KDM4E B2RXH2 7/20 0.64
HTT P42858 2/20 0.64
MEN1 O00255 2/20 0.53
RAB9A P51151 2/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
HPGD P15428 4/20 0.50
HSD17B10 Q99714 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ESR1 P03372 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HMGB1 P09429 1/20 0.50
TSHR P16473 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 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
Hydrochloric Acid SCHEMBL5793684 0.98 ALDH1A1 (0.69) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL8983360 0.91 ALDH1A1 (0.69) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL30211332 0.88 ALDH1A1 (0.89) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL2049483 0.88 ALDH1A1 (0.89) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL19979736 0.88 ALDH1A1 (0.65) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL212173 0.86 ALDH1A1 (0.79) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL11547493 0.85 KDM4E (0.66) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL18700963 0.85 ALDH1A1 (0.71) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL31133329 0.85 ALDH1A1 (0.71) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL7586167 0.85 KDM4E (0.68) ALDH1A1KMT2APTK2BKDM4EHTT

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-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof PURDUE RESEARCH FOUNDATION (US) 2021-06-01 US disclosed
US-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof PURDUE RESEARCH FOUNDATION (US) 2020-02-27 US disclosed
CN-108003085-A A kind of synthetic method of pharmaceutical intermediate sweet-smelling formacyl indole derivatives 张开良 2018-05-08 CN disclosed
CN-106029654-A Preparation of 3, 4-dihydro-1, 4-benzoxazepin-5 (2H) -one derivatives by cyclization of 2- (aminoethoxy) benzoic acid derivatives 吉利德科学公司 2016-10-12 CN disclosed
US-6380185-B1 FOR PREVENTION OF OSTEOPOROSIS, BONE LOSS AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US disclosed
EP-1159268-A1 N-SUBSTITUTED BENzOYL INDOLES AS ESTROGENIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-05 EP disclosed
WO-2000051983-A1 N-SUBSTITUTED BENzOYL INDOLES AS ESTROGENIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-09-08 WO disclosed
US-5475021-A Administering N-substituted succinimides VANDERBILT UNIVERSITY (US) 1995-12-12 US disclosed
WO-1995015163-A1 NOVEL COMPOUNDS FOR INHIBITION OF CYCLOOXYGENASE ACTIVITY VANDERBILT UNIVERSITY (US) 1995-06-08 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-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof ILK, LRRC47, RPL37 ALDH1A1 1721/4885KMT2A 4291/4885PTK2B 1112/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 ALDH1A1 1721/4885KMT2A 4291/4885PTK2B 1112/4885

“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.