SCHEMBL14141999

SCHEMBL14141999

CON1CCN(CCOCc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.61
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ TEAD3 Q99594 1/20 0.51
▸ SIGMAR1 Q99720 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL26981197 0.88 LTA4H (0.75) LTA4HMEN1KMT2AGAATEAD3
SCHEMBL19557301 0.88 LTA4H (0.75) LTA4HMEN1KMT2AGAATEAD3
SCHEMBL31305362 0.85 LTA4H (0.71) LTA4HMEN1KMT2AGAATEAD3
SCHEMBL29447351 0.82 LTA4H (0.87) LTA4HMEN1KMT2AGAASIGMAR1
SCHEMBL5708578 0.81 SIGMAR1 (0.73) LTA4HMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL6393260 0.80 LTA4H (0.84) LTA4HSIGMAR1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL13273818 0.80 SLC6A3 (0.61) SIGMAR1MAPTSLC6A3NPSR1
SCHEMBL13940618 0.80 LTA4H (0.68) LTA4HMEN1KMT2AGAATEAD3
Hydrochloric Acid SCHEMBL467279 0.79 SIGMAR1 (0.71) LTA4HMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL7388780 0.79 LTA4H (0.67) LTA4HMEN1KMT2AGAATEAD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2532662-B1 SYNTHESIS PROCESS OF DASATINIB AND INTERMEDIATE THEREOF NANJING CAVENDISH BIO ENGINEERING TECHNOLOGY CO LTD (CN) 2016-01-27 — — EP disclosed
US-9108954-B2 Synthesis process of dasatinib and intermediate thereof NAN JING CAVENDISH BIO-ENGINEERING TECHNOLOGY CO., LTD. (CN) 2015-08-18 — — US disclosed
US-20130030177-A1 SYNTHESIS PROCESS OF DASATINIB AND INTERMEDIATE THEREOF Nan Jing Cavendish Bio-Engineering Technology Co. Ltd. (CN) 2013-01-31 — — US disclosed
EP-2532662-A1 SYNTHESIS PROCESS OF DASATINIB AND INTERMEDIATE THEREOF Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) 2012-12-12 — — EP 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-20130030177-A1 SYNTHESIS PROCESS OF DASATINIB AND INTERMEDIATE THEREOF ABL1, YES1, ABL2 LTA4H 3795/4885MEN1 2439/4885KMT2A 1804/4885

“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.

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