SCHEMBL1742708

SCHEMBL1742708

CCCCCCC(N)C(C)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.61
CYP2D6 P10635 2/20 0.57
TP53 P04637 2/20 0.57
LMNA P02545 2/20 0.57
GMNN O75496 1/20 0.57
POLB P06746 1/20 0.57
THPO P40225 1/20 0.57
MTOR P42345 1/20 0.57
BLM P54132 1/20 0.57
KDM4E B2RXH2 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
CETP P11597 1/20 0.57
HTT P42858 1/20 0.57
UBE2N P61088 1/20 0.57
OPRM1 P35372 1/20 0.54
LAP3 P28838 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
TRPA1 O75762 1/20 0.46

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
SCHEMBL4891618 1.00 SPHK1 (0.61) SPHK1CYP2D6TP53LMNAGMNN
SCHEMBL3786621 1.00 SPHK1 (0.61) SPHK1CYP2D6TP53LMNAGMNN
SCHEMBL8369324 1.00 SPHK1 (0.61) SPHK1CYP2D6TP53LMNAGMNN
SCHEMBL460570 1.00 SPHK1 (0.61) SPHK1CYP2D6TP53LMNAGMNN
Hydrochloric Acid SCHEMBL11461378 0.98 SPHK1 (0.59) SPHK1CYP2D6TP53LMNAGMNN
Hydrochloric Acid SCHEMBL11187511 0.98 SPHK1 (0.59) SPHK1CYP2D6TP53LMNAGMNN
SCHEMBL6157769 0.98 SPHK1 (0.58) SPHK1CYP2D6TP53LMNAGMNN
SCHEMBL18923235 0.90
SCHEMBL15241781 0.90
SCHEMBL18109589 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202287-A1 Stem Cell Culture Methods ITI SCOTLAND LIMITED (GB) 2012-08-09 US disclosed
EP-2389436-A2 STEM CELL CULTURE METHODS ITI Scotland Limited (GB) 2011-11-30 EP disclosed
US-20110257911-A1 SYSTEMS AND METHODS FOR DETECTING CHANGES IN ENERGY USAGE IN A BUILDING JOHNSON CONTROLS TECHNOLOGY COMPANY 2011-10-20 US disclosed
WO-2010084300-A2 STEM CELL CULTURE METHODS ITI SCOTLAND LIMITED (GB) 2010-07-29 WO disclosed
EP-0287696-B1 ISOQUINOLINE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-01-02 EP disclosed
EP-0287696-A1 Isoquinoline derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1988-10-26 EP disclosed
US-4602089-A Process for preparing purine compounds NEWPORT PHARMACEUTICALS, INC. (US) 1986-07-22 US disclosed
EP-0126813-A1 Process for preparing imidazole compounds Newport Pharmaceuticals International, Inc. (US) 1984-12-05 EP disclosed
US-4451478-A IMMUNOLOGY, ACTIVATORS NEWPORT PHARMACEUTICALS INTERNATIONAL, INC. (US) 1984-05-29 US disclosed
US-4432990-A ANTIBODY INHIBITORS, ANTIALLERGENS, ANTITUMOR, ANTIULCER, AND ANTIARTHRITIC AGENTS FISONS PLC (GB) 1984-02-21 US disclosed
EP-0066909-A2 Imidazole derivatives, pharmaceutical compositions containing them and processes for their production FISONS plc (GB) 1982-12-15 EP disclosed
EP-0009154-B1 COMPLEXES OF 9-HYDROXYALKYL-PURINES, PROCESSES FOR PREPARING THEM AND THERAPEUTICAL COMPOSITIONS CONTAINING THE COMPLEXES AS ACTIVE INGREDIENTS Newport Pharmaceuticals International, Inc. (US) 1982-12-08 EP disclosed
EP-0009155-B1 9-HYDROXYALKYL-PURINES, PROCESSES FOR PREPARING THEM AND THERAPEUTICAL COMPOSITION CONTAINING THE 9-HYDROXYALKYL-PURINES AS ACTIVE INGREDIENTS Newport Pharmaceuticals International, Inc. (US) 1982-11-17 EP disclosed
US-4315920-A Adenosine deaminase inhibitors BURROUGHS WELLCOME CO. (US) 1982-02-16 US disclosed
US-4221909-A P-Acetamidobenzoic acid salts of 9-(hydroxyalkyl) purines SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1980-09-09 US disclosed
US-4221794-A Method of imparting immunomodulating and antiviral activity NEWPORT PHARMACEUTICALS INTERNATIONAL, INC. (US) 1980-09-09 US disclosed
US-4221910-A IMMUNOPOTENTIATORS, VIRICIDES, ANTILEUKEMIA AGENTS NEWPORT PHARMACEUTICALS INTERNATIONAL, INC. (US) 1980-09-09 US disclosed
EP-0009155-A1 9-Hydroxyalkyl-purines, processes for preparing them and therapeutical composition containing the 9-hydroxyalkyl-purines as active ingredients Newport Pharmaceuticals International, Inc. (US) 1980-04-02 EP disclosed
EP-0009154-A1 Complexes of 9-hydroxyalkyl-purines, processes for preparing them and therapeutical compositions containing the complexes as active ingredients Newport Pharmaceuticals International, Inc. (US) 1980-04-02 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-20120202287-A1 Stem Cell Culture Methods KIT, SOX18, MCL1 SPHK1 3188/4885CYP2D6 4131/4885TP53 1116/4885

“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.