SCHEMBL19746738

SCHEMBL19746738

CCCCCCCCCCCCCCN1CCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
USP2 O75604 1/20 0.68
CDK4 P11802 1/20 0.68
ALOX15 P16050 1/20 0.68
CCND1 P24385 1/20 0.68
KDM4E B2RXH2 3/20 0.59
MAPT P10636 2/20 0.59
LMNA P02545 2/20 0.59
PTK2B Q14289 1/20 0.59
ESR2 Q92731 1/20 0.59
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL9549231 1.00 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL15921493 1.00 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL8435686 1.00 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL25229724 1.00 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7036965 1.00 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL25227934 1.00 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL8703125 1.00 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
Water SCHEMBL8575465 0.98 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL29531557 0.98 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL6698921 0.98 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AUSP2CDK4

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
CN-109996599-A Reversible transformation surfactant and application method 华纳巴布科克绿色化学学院有限责任公司 2019-07-09 CN disclosed
US-20190152993-A1 Reversibly Switchable Surfactants and Methods of Use WARNER BABCOCK INSTITUTE FOR GREEN CHEMISTRY, LLC (US) 2019-05-23 US disclosed
EP-3474975-A1 REVERSIBLY SWITCHABLE SURFACTANTS AND METHODS OF USE The Warner-Babcock Institute For Green Chemistry LLC (US) 2019-05-01 EP disclosed
WO-2017223413-A1 REVERSIBLY SWITCHABLE SURFACTANTS AND METHODS OF USE WARNER BABCOCK INSTITUTE FOR GREEN CHEMISTRY, LLC (US) 2017-12-28 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 (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-20190152993-A1 Reversibly Switchable Surfactants and Methods of Use AQP1, AQP3, SGMS1 ALDH1A1 4345/4885MEN1 2388/4885KMT2A 3972/4885

“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.