SCHEMBL644419

SCHEMBL644419

Clc1ccc2[c]cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.50
NR4A2 P43354 2/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALOX15 P16050 1/20 0.36
AHR P35869 2/20 0.34
F7 P08709 1/20 0.34
LTA4H P09960 1/20 0.34
F3 P13726 1/20 0.34
TP53 P04637 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
CYP19A1 P11511 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL643621 0.84 CYP2A6 (0.48) CYP2A6NR4A2ALDH1A1TSHRSMN1; SMN2
SCHEMBL2318276 0.79 ESR1 (0.35) CYP3A4NPC1CYP19A1RAB9A
SCHEMBL756551 0.78 CYP2A6 (0.32) CYP2A6
SCHEMBL10501637 0.77 CCR1 (0.31) CYP2A6
SCHEMBL643603 0.76 CYP1A2 (0.48) CYP2A6ALDH1A1AHRKDM4EHSD17B10
SCHEMBL2252898 0.76 ALDH1A1 (0.48) CYP2A6ALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL1296866 0.76 CYP1A2 (0.48) ALDH1A1TSHRCYP3A4TDP1ALOX15
SCHEMBL8355321 0.76 NOS1 (0.31) NOS1
SCHEMBL646094 0.76 CYP2A6 (0.48) CYP2A6NR4A2ALDH1A1AHRKDM4E
SCHEMBL645977 0.76 CYP2A6 (0.48) CYP2A6ALDH1A1SMN1; SMN2CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115716849-A Synthetic method of aryl phosphorus compound 海南大学 2023-02-28 CN claimed
US-9382356-B2 Catalyst for olefin polymerization, method for producing olefin polymer, method for producing propylene-based copolymer, propylene polymer, propylene-based polymer composition, and use of those MITSUI CHEMICALS, INC. (JP) 2016-07-05 US claimed
EP-0279598-B1 ARYLPIPERAZINYL-ALKYLENE-PHENYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1993-09-15 EP claimed
CN-1015627-B Process for preparing aryl-piperazinyl-alkylene-phenyl-heterocyclic compounds PHIZER CORP (US) 1992-02-26 CN claimed
EP-0279598-A2 Arylpiperazinyl-alkylene-phenyl-heterocyclic compounds PFIZER INC. (US) 1988-08-24 EP claimed
WO-2024147306-A1 AMIDE COMPOUND AND HARMFUL ARTHROPOD CONTROL COMPOSITION CONTAINING SAME 住友化学株式会社 2024-07-11 WO disclosed
EP-4201923-A1 5-SUBSTITUTED 2,3-DIHYDROPYRIDIN-4-ONES AND PROCESS FOR PREPARING THE SAME Karl-Franzens-Universität Graz (AT) 2023-06-28 EP disclosed
CN-115716849-A Synthetic method of aryl phosphorus compound 海南大学 2023-02-28 CN disclosed
US-11478451-B1 Macrocyclic chlorine substituted indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2022-10-25 US disclosed
US-11447504-B2 Macrocyclic chlorine substituted indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2022-09-20 US disclosed
EP-3710449-B1 MACROCYCLIC FLUORINE SUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS, FOR USE IN THE TREATMENT OF CANCER BROAD INST INC (US) 2022-07-06 EP disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-RE30754-E GRAFTING MONOMERS WITH AMINE-REACTIVE SITES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-09-29 US disclosed
US-4225476-A HOT MELT ADHESIVES, IMIDATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-09-30 US disclosed
US-RE30322-E Novel elastomeric graft copolymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-07-01 US disclosed
US-4139537-A 3-Aryloxy-1-(2- or 4-iminodihydro-1-pyridyl)-2-propanol antiarrhythmic compounds COOPER LABORATORIES, INC. (US) 1979-02-13 US disclosed
US-4065613-A ETHYLENEBRANCHING AGENTSATACTIC, AMORPHOUS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-12-27 US disclosed
US-4017557-A WIRE JACKETING, HOSE, BELTS, SEALS, GASKETS, LOW PRESSURE TIRES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-12 US disclosed
US-3976720-A Polyamide/polyolefin plastic graft copolymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-08-24 US disclosed
US-3972961-A Process for the preparation of graft copolymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-08-03 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-11447504-B2 Macrocyclic chlorine substituted indole derivatives CCNT2, CCNL2, CCND2 CYP2A6 655/4885NR4A2 3369/4885ALDH1A1 747/4885
US-11478451-B1 Macrocyclic chlorine substituted indole derivatives CCNT2, CCNL2, CCND2 CYP2A6 655/4885NR4A2 3369/4885ALDH1A1 747/4885

“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.