SCHEMBL3707976

SCHEMBL3707976

CC(C#N)(OC(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
KCNN4 O15554 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38

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
SCHEMBL3707975 0.89 CYP2C19 (0.44) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL7559967 0.80 CYP2D6 (0.39) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL7559968 0.80 CYP2D6 (0.39) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL11244960 0.76 CYP2C19 (0.54) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL6552317 0.74 ALDH1A1 (0.58) CYP2C19HIF1AMAPTKMT2AKCNN4
Thiobenzoic Acid SCHEMBL15282107 0.74 ALDH1A1 (0.33) CYP2C19HIF1AMAPTALDH1A1ALOX15
SCHEMBL11482204 0.73 ATM (0.45) HIF1AMAPTALDH1A1MAPK1SMN1; SMN2
Methane SCHEMBL7949344 0.72 ALDH1A1 (0.56) CYP2C19HIF1AMAPTKMT2AKCNN4
Ethane SCHEMBL984516 0.72 ALDH1A1 (0.56) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL1269231 0.72 MAPK1 (0.39) CYP2C19MAPTKMT2AALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9017726-B2 Biodegradable and thermosensitive poly(organophosphazene)-superparamagnetic nanoparticle complex, preparation method and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-04-28 US disclosed
US-20140031289-A1 POLY(ORGANOPHOSPHAZENE) CONTAINING DEGRADATION CONTROLLABLE IONIC GROUP, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-01-30 US disclosed
US-20120121517-A1 BIODEGRADABLE AND THERMOSENSITIVE POLY(ORGANOPHOSPHAZENE)-SUPERPARAMAGNETIC NANOPARTICLE COMPLEX, PREPARATION METHOD AND USE THEREOF Korean Institute of Science and Technology of Seoul, Republic of Korea 2012-05-17 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 (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-20120121517-A1 BIODEGRADABLE AND THERMOSENSITIVE POLY(ORGANOPHOSPHAZENE)-SUPERPARAMAGNETIC NANOPARTICLE COMPLEX, PREPARATION METHOD AND USE THEREOF PHOSPHO1, HSPA2, FEM1B CYP2C19 3446/4885HIF1A 162/4885MAPT 1641/4885
US-20140031289-A1 POLY(ORGANOPHOSPHAZENE) CONTAINING DEGRADATION CONTROLLABLE IONIC GROUP, PREPARATION METHOD THEREOF AND USE THEREOF PHOSPHO1, PLCB3, INPP5D CYP2C19 140/4885HIF1A 4694/4885MAPT 2670/4885

“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.