SCHEMBL435736

SCHEMBL435736

CC(C)(C)Oc1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP2A6 P11509 2/20 0.46
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA1 P00915 1/20 0.44
MAOB P27338 2/20 0.42
MAPT P10636 2/20 0.42
ACACB O00763 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PPARA Q07869 3/20 0.40
PPARD Q03181 2/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
CYP19A1 P11511 2/20 0.40

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
SCHEMBL4187742 0.94 KIF11 (0.57) KIF11ALDH1A1CYP2A6CA2CA9
SCHEMBL29673200 0.87 ALDH1A1 (0.43) KIF11ALDH1A1CYP2A6CA2CA9
SCHEMBL22649193 0.83 MAOB (0.44) KIF11ALDH1A1CYP2A6CA2CA9
SCHEMBL28062594 0.83 KIF11 (0.48) KIF11ALDH1A1CYP2A6CA2CA9
SCHEMBL15241846 0.83 CA2 (0.46) KIF11ALDH1A1CYP2A6CA2CA9
SCHEMBL9303544 0.81 ACACB (0.56) KIF11ACACB
SCHEMBL26746 0.80 SLC6A2 (0.44) KIF11ALDH1A1CA2CA9CA1
SCHEMBL506442 0.79 KIF11 (0.41) KIF11ALDH1A1CYP2A6CA2CA9
SCHEMBL22349709 0.79 CYP2A6 (0.45) KIF11ALDH1A1CYP2A6CA2CA9
SCHEMBL6948975 0.79 KIF11 (0.41) KIF11ALDH1A1CYP2A6CA2CA9

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4622966-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF Radionetics Oncology, Inc. (US) 2025-10-01 EP disclosed
US-20250213735-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. 2025-07-03 US disclosed
US-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. 2024-07-11 US disclosed
US-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. 2024-07-11 US disclosed
WO-2024112612-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. (US) 2024-05-30 WO disclosed
US-11773114-B2 Protective groups and methods for protecting benzoxaboroles or oxaboroles SAINT JOSEPH'S UNIVERSITY (US) 2023-10-03 US disclosed
US-11773114-B2 Protective groups and methods for protecting benzoxaboroles or oxaboroles SAINT JOSEPH'S UNIVERSITY (US) 2023-10-03 US disclosed
US-20230242569-A1 PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE 2023-08-03 US disclosed
US-20220275007-A1 FLOW REACTION PROCESS FOR MANUFACTURE OF BORON-CONTAINING AGROCHEMICALS 5METIS, INC. 2022-09-01 US disclosed
US-11400130-B2 Inhibitors for proliferating cell nuclear antigen and uses PURDUE RESEARCH FOUNDATION (US) 2022-08-02 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 WO disclosed
US-20090298906-A1 PROTEASOME INHIBITORS NEREUS PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090298906-A1 PROTEASOME INHIBITORS NEREUS PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
EP-1027316-B1 SYNTHESIS OF ARYL ETHERS, METHODS AND REAGENTS RELATED THERETO MASSACHUSETTS INST TECHNOLOGY (US) 2003-05-21 EP disclosed
EP-1254884-A2 Preparation of vinyl ethers from alcohols and alkenes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-11-06 EP disclosed
EP-1245553-A2 Palladium-catalysed synthesis of aryl ethers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-02 EP disclosed
US-20010008942-A1 Synthesis of aryl ethers BUCHWALD STEPHEN L (US) 2001-07-19 US disclosed
US-6166226-A Synthesis of aryl ethers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-12-26 US disclosed
US-5847166-A Synthesis of aryl ethers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1998-12-08 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 (9 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-11773114-B2 Protective groups and methods for protecting benzoxaboroles or oxaboroles TXN2, ABCB7, TXN KIF11 4718/4885ALDH1A1 967/4885CYP2A6 1216/4885
US-20230242569-A1 PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS PPIP5K2, INPP5B, PTMS KIF11 4330/4885ALDH1A1 4574/4885CYP2A6 588/4885
US-20010008942-A1 Synthesis of aryl ethers AHR, PAH, PDK1 KIF11 1084/4885ALDH1A1 688/4885CYP2A6 201/4885
US-11400130-B2 Inhibitors for proliferating cell nuclear antigen and uses MKI67, PCNA, PCLAF KIF11 1978/4885ALDH1A1 3370/4885CYP2A6 4711/4885
US-20250213735-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF NPY1R, NPY2R, NPY4R KIF11 2431/4885ALDH1A1 3906/4885CYP2A6 4697/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 KIF11 4467/4885ALDH1A1 4062/4885CYP2A6 3219/4885
US-20220275007-A1 FLOW REACTION PROCESS FOR MANUFACTURE OF BORON-CONTAINING AGROCHEMICALS BROX, SQLE, BMX KIF11 2816/4885ALDH1A1 4279/4885CYP2A6 325/4885
US-20090298906-A1 PROTEASOME INHIBITORS PSMB1, PSME1, PSME3 KIF11 3427/4885ALDH1A1 2764/4885CYP2A6 2713/4885
US-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF NPY1R, NPY2R, NPY4R KIF11 2431/4885ALDH1A1 3906/4885CYP2A6 4697/4885

“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.