SCHEMBL1972140

SCHEMBL1972140

C=Cc1cc(CC)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.52
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52
BTK Q06187 2/20 0.38
HDAC8 Q9BY41 1/20 0.37
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TRPA1 O75762 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
RIOK2 Q9BVS4 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
PKM P14618 1/20 0.32
LOXL2 Q9Y4K0 3/20 0.32
LOX P28300 2/20 0.32
MAP3K14 Q99558 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31

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
SCHEMBL20920751 0.85 BTK (0.36) NOS3NOS1NOS2BTKHDAC8
SCHEMBL662664 0.82 NOS3 (0.53) NOS3NOS1NOS2KDM4EL3MBTL1
SCHEMBL24696617 0.80 TDP1 (0.41) L3MBTL1CYP3A4
SCHEMBL9899588 0.80 RECQL (0.52) NOS3NOS1NOS2BTKHDAC8
SCHEMBL20621291 0.80 NOS3 (0.52) NOS3NOS1NOS2KDM4EL3MBTL1
SCHEMBL6642166 0.80 NOS3 (0.52) NOS3NOS1NOS2KDM4EL3MBTL1
SCHEMBL19728333 0.79 GABRA1 (0.37) NOS3NOS1NOS2BTKHDAC8
SCHEMBL27295287 0.79 NOS3 (0.35) NOS3NOS1NOS2CYP1A2CYP2D6
SCHEMBL22007014 0.78 NOS2 (0.50) NOS3NOS1NOS2KDM4EL3MBTL1
SCHEMBL10815614 0.77 KDM4E (0.38) BTKHDAC8KDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4172862-A CONJUGATED DIOLEFIN, VINYL AROMATIC, VINYLPYRIDINE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1979-10-30 US claimed
US-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 US disclosed
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-29 US disclosed
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-04 US disclosed
US-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC 2023-02-09 US disclosed
US-11358940-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-14 US disclosed
US-20210230183-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-07-29 US disclosed
US-10857140-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-08 US disclosed
US-20200247762-A1 K-RAS MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-06 US disclosed
US-4664822-A OVERBASED COMPOUND CONTAINING COPPER AMOCO CORPORATION (US) 1987-05-12 US disclosed
EP-0089856-B1 IMPROVED CONCENTRATES OF LUBRICANT ADDITIVES EXXON RESEARCH AND ENGINEERING COMPANY (US) 1986-11-05 EP disclosed
EP-0167295-A2 Improved lubricating compositions EXXON RESEARCH AND ENGINEERING COMPANY (US) 1986-01-08 EP disclosed
EP-0024146-B1 IMPROVED LUBRICATING COMPOSITIONS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1985-10-09 EP disclosed
US-4502970-A POLYISOBUTENYL SUCCINIC ANHYDRIDE EXXON RESEARCH & ENGINEERING CO. (US) 1985-03-05 US disclosed
US-4502971-A REDUCED INCREASE IN VISCOSITY OF DISPERSANT AND BASIC MAGNESIUM DETERGENT EXXON RESEARCH & ENGINEERING CO. (US) 1985-03-05 US disclosed
EP-0096539-A2 Lubricating oil composition EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-12-21 EP disclosed
EP-0089856-A2 Improved concentrates of lubricant additives EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-09-28 EP disclosed
EP-0024146-A1 Improved lubricating compositions EXXON RESEARCH AND ENGINEERING COMPANY (US) 1981-02-25 EP disclosed
US-4172862-A CONJUGATED DIOLEFIN, VINYL AROMATIC, VINYLPYRIDINE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1979-10-30 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-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 NOS3 3512/4885NOS1 4194/4885NOS2 3733/4885
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS NOS3 2205/4885NOS1 2835/4885NOS2 2483/4885
US-12018002-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 NOS3 3512/4885NOS1 4194/4885NOS2 3733/4885
US-20200247762-A1 K-RAS MODULATORS KRAS, HRAS, NRAS NOS3 4470/4885NOS1 4233/4885NOS2 4268/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS NOS3 2205/4885NOS1 2835/4885NOS2 2483/4885
US-20210230183-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS NOS3 2205/4885NOS1 2835/4885NOS2 2483/4885
US-11358940-B2 K-Ras modulators KRAS, HRAS, NRAS NOS3 3703/4885NOS1 3580/4885NOS2 3532/4885
US-10857140-B2 K-Ras modulators KRAS, HRAS, NRAS NOS3 4270/4885NOS1 3690/4885NOS2 3786/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS NOS3 2205/4885NOS1 2835/4885NOS2 2483/4885

“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.